USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 74 HIS HD1 : A 74 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 65 MET CE :methyl 140:sc= -0.0871 (180deg=-0.45) USER MOD Set 1.2: A 93 HIS : no HE2:sc= -1.2 K(o=-1.3,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 170:sc= 0.607 (180deg=0.562) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0971 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 36:sc=-0.00251 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc=-0.00858 (180deg=-0.156) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.08) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.15) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 36 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.091) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0338) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.782 X(o=-0.78,f=-1.1!) USER MOD Single : A 51 GLN : amide:sc= 0.27 X(o=0.27,f=-0.017) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 140:sc= -0.106 USER MOD Single : A 68 SER OG : rot 99:sc= 1.07 USER MOD Single : A 69 SER OG : rot 59:sc= 1.05 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.19) USER MOD Single : A 78 MET CE :methyl -164:sc= -0.0456 (180deg=-0.418) USER MOD Single : A 82 SER OG : rot 180:sc= 0.00351 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc=-0.00429 (180deg=-0.162) USER MOD Single : A 89 SER OG : rot 96:sc= -1.19 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0217 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.821 -10.938 7.234 1.00 6.55 N ATOM 2 CA GLY A 1 4.196 -10.578 8.624 1.00 6.13 C ATOM 3 C GLY A 1 3.747 -9.179 8.991 1.00 5.56 C ATOM 4 O GLY A 1 3.805 -8.269 8.165 1.00 5.62 O ATOM 0 H1 GLY A 1 4.289 -11.827 6.967 1.00 6.55 H new ATOM 0 H2 GLY A 1 2.790 -11.058 7.173 1.00 6.55 H new ATOM 0 H3 GLY A 1 4.121 -10.181 6.587 1.00 6.55 H new ATOM 0 HA2 GLY A 1 3.752 -11.294 9.316 1.00 6.13 H new ATOM 0 HA3 GLY A 1 5.277 -10.653 8.738 1.00 6.13 H new ATOM 10 N ALA A 2 3.300 -9.002 10.230 1.00 5.41 N ATOM 11 CA ALA A 2 2.826 -7.703 10.697 1.00 5.31 C ATOM 12 C ALA A 2 3.943 -6.923 11.381 1.00 4.43 C ATOM 13 O ALA A 2 3.731 -5.818 11.883 1.00 4.77 O ATOM 14 CB ALA A 2 1.642 -7.880 11.638 1.00 6.37 C ATOM 0 H ALA A 2 3.256 -9.743 10.930 1.00 5.41 H new ATOM 0 HA ALA A 2 2.501 -7.128 9.830 1.00 5.31 H new ATOM 0 HB1 ALA A 2 1.299 -6.903 11.979 1.00 6.37 H new ATOM 0 HB2 ALA A 2 0.832 -8.386 11.113 1.00 6.37 H new ATOM 0 HB3 ALA A 2 1.946 -8.477 12.497 1.00 6.37 H new ATOM 20 N MET A 3 5.131 -7.505 11.392 1.00 3.71 N ATOM 21 CA MET A 3 6.295 -6.882 12.004 1.00 3.29 C ATOM 22 C MET A 3 7.497 -7.040 11.077 1.00 2.27 C ATOM 23 O MET A 3 7.415 -7.772 10.089 1.00 2.62 O ATOM 24 CB MET A 3 6.561 -7.520 13.376 1.00 3.97 C ATOM 25 CG MET A 3 7.730 -6.915 14.138 1.00 4.59 C ATOM 26 SD MET A 3 7.602 -5.124 14.301 1.00 5.49 S ATOM 27 CE MET A 3 9.154 -4.758 15.114 1.00 6.18 C ATOM 0 H MET A 3 5.316 -8.419 10.979 1.00 3.71 H new ATOM 0 HA MET A 3 6.114 -5.818 12.156 1.00 3.29 H new ATOM 0 HB2 MET A 3 5.661 -7.430 13.985 1.00 3.97 H new ATOM 0 HB3 MET A 3 6.747 -8.585 13.237 1.00 3.97 H new ATOM 0 HG2 MET A 3 7.783 -7.363 15.130 1.00 4.59 H new ATOM 0 HG3 MET A 3 8.660 -7.164 13.626 1.00 4.59 H new ATOM 0 HE1 MET A 3 9.230 -3.684 15.287 1.00 6.18 H new ATOM 0 HE2 MET A 3 9.198 -5.283 16.068 1.00 6.18 H new ATOM 0 HE3 MET A 3 9.981 -5.083 14.483 1.00 6.18 H new ATOM 37 N GLU A 4 8.595 -6.342 11.387 1.00 1.66 N ATOM 38 CA GLU A 4 9.827 -6.422 10.601 1.00 1.27 C ATOM 39 C GLU A 4 9.614 -5.838 9.212 1.00 1.17 C ATOM 40 O GLU A 4 8.646 -5.117 8.965 1.00 1.64 O ATOM 41 CB GLU A 4 10.302 -7.874 10.465 1.00 2.01 C ATOM 42 CG GLU A 4 10.536 -8.593 11.779 1.00 2.51 C ATOM 43 CD GLU A 4 10.926 -10.039 11.561 1.00 3.17 C ATOM 44 OE1 GLU A 4 12.127 -10.355 11.664 1.00 3.76 O ATOM 45 OE2 GLU A 4 10.031 -10.871 11.299 1.00 3.52 O ATOM 0 H GLU A 4 8.653 -5.710 12.185 1.00 1.66 H new ATOM 0 HA GLU A 4 10.588 -5.846 11.127 1.00 1.27 H new ATOM 0 HB2 GLU A 4 9.563 -8.431 9.889 1.00 2.01 H new ATOM 0 HB3 GLU A 4 11.228 -7.886 9.891 1.00 2.01 H new ATOM 0 HG2 GLU A 4 11.321 -8.084 12.338 1.00 2.51 H new ATOM 0 HG3 GLU A 4 9.632 -8.547 12.386 1.00 2.51 H new ATOM 52 N ARG A 5 10.540 -6.134 8.319 1.00 0.96 N ATOM 53 CA ARG A 5 10.395 -5.790 6.921 1.00 0.91 C ATOM 54 C ARG A 5 10.008 -7.040 6.150 1.00 0.81 C ATOM 55 O ARG A 5 10.730 -8.038 6.184 1.00 0.84 O ATOM 56 CB ARG A 5 11.699 -5.219 6.365 1.00 0.98 C ATOM 57 CG ARG A 5 12.152 -3.942 7.052 1.00 1.45 C ATOM 58 CD ARG A 5 13.491 -3.468 6.513 1.00 1.50 C ATOM 59 NE ARG A 5 14.563 -4.430 6.775 1.00 2.16 N ATOM 60 CZ ARG A 5 15.534 -4.720 5.906 1.00 2.56 C ATOM 61 NH1 ARG A 5 15.550 -4.151 4.706 1.00 2.34 N ATOM 62 NH2 ARG A 5 16.483 -5.587 6.236 1.00 3.55 N ATOM 0 H ARG A 5 11.410 -6.618 8.543 1.00 0.96 H new ATOM 0 HA ARG A 5 9.621 -5.029 6.816 1.00 0.91 H new ATOM 0 HB2 ARG A 5 12.483 -5.970 6.461 1.00 0.98 H new ATOM 0 HB3 ARG A 5 11.574 -5.023 5.300 1.00 0.98 H new ATOM 0 HG2 ARG A 5 11.403 -3.163 6.906 1.00 1.45 H new ATOM 0 HG3 ARG A 5 12.230 -4.113 8.126 1.00 1.45 H new ATOM 0 HD2 ARG A 5 13.410 -3.300 5.439 1.00 1.50 H new ATOM 0 HD3 ARG A 5 13.745 -2.510 6.967 1.00 1.50 H new ATOM 0 HE ARG A 5 14.568 -4.908 7.676 1.00 2.16 H new ATOM 0 HH11 ARG A 5 14.819 -3.490 4.445 1.00 2.34 H new ATOM 0 HH12 ARG A 5 16.294 -4.375 4.045 1.00 2.34 H new ATOM 0 HH21 ARG A 5 16.471 -6.032 7.154 1.00 3.55 H new ATOM 0 HH22 ARG A 5 17.225 -5.808 5.572 1.00 3.55 H new ATOM 76 N GLU A 6 8.862 -7.001 5.490 1.00 0.77 N ATOM 77 CA GLU A 6 8.402 -8.133 4.705 1.00 0.72 C ATOM 78 C GLU A 6 9.326 -8.312 3.503 1.00 0.62 C ATOM 79 O GLU A 6 9.905 -7.345 3.013 1.00 0.73 O ATOM 80 CB GLU A 6 6.950 -7.901 4.274 1.00 0.85 C ATOM 81 CG GLU A 6 6.251 -9.129 3.713 1.00 1.17 C ATOM 82 CD GLU A 6 4.743 -9.008 3.785 1.00 1.78 C ATOM 83 OE1 GLU A 6 4.153 -8.301 2.945 1.00 2.22 O ATOM 84 OE2 GLU A 6 4.136 -9.621 4.696 1.00 2.46 O ATOM 0 H GLU A 6 8.234 -6.197 5.483 1.00 0.77 H new ATOM 0 HA GLU A 6 8.431 -9.047 5.298 1.00 0.72 H new ATOM 0 HB2 GLU A 6 6.384 -7.538 5.132 1.00 0.85 H new ATOM 0 HB3 GLU A 6 6.930 -7.113 3.522 1.00 0.85 H new ATOM 0 HG2 GLU A 6 6.553 -9.276 2.676 1.00 1.17 H new ATOM 0 HG3 GLU A 6 6.570 -10.012 4.266 1.00 1.17 H new ATOM 91 N ASP A 7 9.494 -9.541 3.047 1.00 0.54 N ATOM 92 CA ASP A 7 10.435 -9.809 1.968 1.00 0.53 C ATOM 93 C ASP A 7 9.713 -10.161 0.676 1.00 0.46 C ATOM 94 O ASP A 7 9.994 -11.183 0.051 1.00 0.55 O ATOM 95 CB ASP A 7 11.416 -10.922 2.351 1.00 0.71 C ATOM 96 CG ASP A 7 12.436 -10.477 3.387 1.00 1.68 C ATOM 97 OD1 ASP A 7 12.221 -10.742 4.591 1.00 2.36 O ATOM 98 OD2 ASP A 7 13.455 -9.859 3.004 1.00 2.34 O ATOM 0 H ASP A 7 9.000 -10.361 3.400 1.00 0.54 H new ATOM 0 HA ASP A 7 11.003 -8.894 1.801 1.00 0.53 H new ATOM 0 HB2 ASP A 7 10.858 -11.774 2.740 1.00 0.71 H new ATOM 0 HB3 ASP A 7 11.938 -11.264 1.457 1.00 0.71 H new ATOM 103 N GLU A 8 8.774 -9.309 0.292 1.00 0.37 N ATOM 104 CA GLU A 8 8.082 -9.438 -0.983 1.00 0.34 C ATOM 105 C GLU A 8 7.415 -8.117 -1.341 1.00 0.28 C ATOM 106 O GLU A 8 6.926 -7.409 -0.464 1.00 0.29 O ATOM 107 CB GLU A 8 7.027 -10.543 -0.920 1.00 0.42 C ATOM 108 CG GLU A 8 6.345 -10.801 -2.256 1.00 0.46 C ATOM 109 CD GLU A 8 5.200 -11.784 -2.147 1.00 0.60 C ATOM 110 OE1 GLU A 8 5.439 -12.937 -1.736 1.00 0.71 O ATOM 111 OE2 GLU A 8 4.053 -11.410 -2.474 1.00 0.69 O ATOM 0 H GLU A 8 8.471 -8.512 0.852 1.00 0.37 H new ATOM 0 HA GLU A 8 8.814 -9.700 -1.747 1.00 0.34 H new ATOM 0 HB2 GLU A 8 7.496 -11.465 -0.576 1.00 0.42 H new ATOM 0 HB3 GLU A 8 6.273 -10.274 -0.181 1.00 0.42 H new ATOM 0 HG2 GLU A 8 5.972 -9.858 -2.657 1.00 0.46 H new ATOM 0 HG3 GLU A 8 7.079 -11.182 -2.966 1.00 0.46 H new ATOM 118 N CYS A 9 7.371 -7.800 -2.627 1.00 0.27 N ATOM 119 CA CYS A 9 6.743 -6.575 -3.080 1.00 0.25 C ATOM 120 C CYS A 9 5.252 -6.793 -3.205 1.00 0.32 C ATOM 121 O CYS A 9 4.806 -7.580 -4.037 1.00 0.38 O ATOM 122 CB CYS A 9 7.284 -6.156 -4.442 1.00 0.26 C ATOM 123 SG CYS A 9 6.466 -4.702 -5.130 1.00 0.30 S ATOM 0 H CYS A 9 7.763 -8.376 -3.372 1.00 0.27 H new ATOM 0 HA CYS A 9 6.960 -5.792 -2.353 1.00 0.25 H new ATOM 0 HB2 CYS A 9 8.351 -5.954 -4.353 1.00 0.26 H new ATOM 0 HB3 CYS A 9 7.174 -6.987 -5.138 1.00 0.26 H new ATOM 128 N PHE A 10 4.482 -6.088 -2.398 1.00 0.33 N ATOM 129 CA PHE A 10 3.038 -6.255 -2.404 1.00 0.41 C ATOM 130 C PHE A 10 2.437 -5.692 -3.694 1.00 0.48 C ATOM 131 O PHE A 10 1.299 -5.992 -4.043 1.00 0.57 O ATOM 132 CB PHE A 10 2.424 -5.583 -1.169 1.00 0.41 C ATOM 133 CG PHE A 10 0.980 -5.931 -0.936 1.00 0.46 C ATOM 134 CD1 PHE A 10 -0.005 -4.962 -1.028 1.00 0.50 C ATOM 135 CD2 PHE A 10 0.608 -7.231 -0.620 1.00 0.50 C ATOM 136 CE1 PHE A 10 -1.330 -5.281 -0.807 1.00 0.56 C ATOM 137 CE2 PHE A 10 -0.717 -7.553 -0.400 1.00 0.57 C ATOM 138 CZ PHE A 10 -1.686 -6.577 -0.493 1.00 0.59 C ATOM 0 H PHE A 10 4.828 -5.397 -1.732 1.00 0.33 H new ATOM 0 HA PHE A 10 2.806 -7.319 -2.365 1.00 0.41 H new ATOM 0 HB2 PHE A 10 3.002 -5.867 -0.289 1.00 0.41 H new ATOM 0 HB3 PHE A 10 2.514 -4.502 -1.274 1.00 0.41 H new ATOM 0 HD1 PHE A 10 0.266 -3.946 -1.275 1.00 0.50 H new ATOM 0 HD2 PHE A 10 1.363 -7.999 -0.545 1.00 0.50 H new ATOM 0 HE1 PHE A 10 -2.089 -4.516 -0.880 1.00 0.56 H new ATOM 0 HE2 PHE A 10 -0.993 -8.568 -0.155 1.00 0.57 H new ATOM 0 HZ PHE A 10 -2.723 -6.826 -0.320 1.00 0.59 H new ATOM 148 N SER A 11 3.215 -4.884 -4.407 1.00 0.46 N ATOM 149 CA SER A 11 2.773 -4.315 -5.672 1.00 0.54 C ATOM 150 C SER A 11 2.861 -5.340 -6.804 1.00 0.57 C ATOM 151 O SER A 11 1.999 -5.382 -7.678 1.00 0.69 O ATOM 152 CB SER A 11 3.617 -3.088 -6.024 1.00 0.54 C ATOM 153 OG SER A 11 3.723 -2.208 -4.921 1.00 0.96 O ATOM 0 H SER A 11 4.157 -4.609 -4.128 1.00 0.46 H new ATOM 0 HA SER A 11 1.730 -4.019 -5.556 1.00 0.54 H new ATOM 0 HB2 SER A 11 4.612 -3.405 -6.337 1.00 0.54 H new ATOM 0 HB3 SER A 11 3.169 -2.565 -6.869 1.00 0.54 H new ATOM 0 HG SER A 11 4.268 -1.433 -5.172 1.00 0.96 H new ATOM 159 N CYS A 12 3.899 -6.174 -6.781 1.00 0.48 N ATOM 160 CA CYS A 12 4.165 -7.068 -7.906 1.00 0.53 C ATOM 161 C CYS A 12 3.997 -8.545 -7.533 1.00 0.55 C ATOM 162 O CYS A 12 3.661 -9.372 -8.380 1.00 0.62 O ATOM 163 CB CYS A 12 5.584 -6.833 -8.430 1.00 0.51 C ATOM 164 SG CYS A 12 5.952 -5.104 -8.815 1.00 0.49 S ATOM 0 H CYS A 12 4.561 -6.250 -6.008 1.00 0.48 H new ATOM 0 HA CYS A 12 3.432 -6.839 -8.680 1.00 0.53 H new ATOM 0 HB2 CYS A 12 6.298 -7.188 -7.687 1.00 0.51 H new ATOM 0 HB3 CYS A 12 5.733 -7.434 -9.327 1.00 0.51 H new ATOM 169 N GLY A 13 4.220 -8.870 -6.266 1.00 0.51 N ATOM 170 CA GLY A 13 4.165 -10.258 -5.838 1.00 0.55 C ATOM 171 C GLY A 13 5.519 -10.933 -5.923 1.00 0.54 C ATOM 172 O GLY A 13 5.648 -12.127 -5.649 1.00 0.61 O ATOM 0 H GLY A 13 4.438 -8.201 -5.528 1.00 0.51 H new ATOM 0 HA2 GLY A 13 3.800 -10.307 -4.812 1.00 0.55 H new ATOM 0 HA3 GLY A 13 3.450 -10.800 -6.457 1.00 0.55 H new ATOM 176 N ASP A 14 6.533 -10.163 -6.296 1.00 0.49 N ATOM 177 CA ASP A 14 7.889 -10.683 -6.432 1.00 0.49 C ATOM 178 C ASP A 14 8.788 -10.136 -5.337 1.00 0.38 C ATOM 179 O ASP A 14 8.513 -9.078 -4.768 1.00 0.32 O ATOM 180 CB ASP A 14 8.477 -10.322 -7.799 1.00 0.55 C ATOM 181 CG ASP A 14 7.940 -11.186 -8.920 1.00 0.72 C ATOM 182 OD1 ASP A 14 7.011 -10.741 -9.626 1.00 0.81 O ATOM 183 OD2 ASP A 14 8.428 -12.321 -9.088 1.00 0.85 O ATOM 0 H ASP A 14 6.442 -9.170 -6.511 1.00 0.49 H new ATOM 0 HA ASP A 14 7.836 -11.768 -6.343 1.00 0.49 H new ATOM 0 HB2 ASP A 14 8.260 -9.276 -8.017 1.00 0.55 H new ATOM 0 HB3 ASP A 14 9.562 -10.420 -7.759 1.00 0.55 H new ATOM 188 N ALA A 15 9.860 -10.855 -5.051 1.00 0.41 N ATOM 189 CA ALA A 15 10.816 -10.447 -4.036 1.00 0.36 C ATOM 190 C ALA A 15 12.172 -10.158 -4.661 1.00 0.40 C ATOM 191 O ALA A 15 12.485 -10.663 -5.740 1.00 0.47 O ATOM 192 CB ALA A 15 10.944 -11.515 -2.969 1.00 0.42 C ATOM 0 H ALA A 15 10.092 -11.734 -5.514 1.00 0.41 H new ATOM 0 HA ALA A 15 10.450 -9.532 -3.570 1.00 0.36 H new ATOM 0 HB1 ALA A 15 11.664 -11.193 -2.217 1.00 0.42 H new ATOM 0 HB2 ALA A 15 9.974 -11.677 -2.498 1.00 0.42 H new ATOM 0 HB3 ALA A 15 11.286 -12.445 -3.424 1.00 0.42 H new ATOM 198 N GLY A 16 12.976 -9.351 -3.983 1.00 0.40 N ATOM 199 CA GLY A 16 14.266 -8.967 -4.519 1.00 0.48 C ATOM 200 C GLY A 16 14.728 -7.627 -3.986 1.00 0.49 C ATOM 201 O GLY A 16 14.818 -7.440 -2.770 1.00 1.04 O ATOM 0 H GLY A 16 12.757 -8.955 -3.069 1.00 0.40 H new ATOM 0 HA2 GLY A 16 15.003 -9.730 -4.269 1.00 0.48 H new ATOM 0 HA3 GLY A 16 14.208 -8.924 -5.607 1.00 0.48 H new ATOM 205 N GLN A 17 15.006 -6.693 -4.888 1.00 0.52 N ATOM 206 CA GLN A 17 15.455 -5.360 -4.503 1.00 0.49 C ATOM 207 C GLN A 17 14.276 -4.538 -3.996 1.00 0.39 C ATOM 208 O GLN A 17 13.566 -3.896 -4.771 1.00 0.41 O ATOM 209 CB GLN A 17 16.121 -4.658 -5.686 1.00 0.61 C ATOM 210 CG GLN A 17 16.722 -3.308 -5.329 1.00 0.67 C ATOM 211 CD GLN A 17 17.389 -2.633 -6.509 1.00 0.93 C ATOM 212 OE1 GLN A 17 18.573 -2.842 -6.769 1.00 1.56 O ATOM 213 NE2 GLN A 17 16.641 -1.816 -7.229 1.00 1.52 N ATOM 0 H GLN A 17 14.928 -6.835 -5.895 1.00 0.52 H new ATOM 0 HA GLN A 17 16.188 -5.456 -3.702 1.00 0.49 H new ATOM 0 HB2 GLN A 17 16.905 -5.301 -6.086 1.00 0.61 H new ATOM 0 HB3 GLN A 17 15.385 -4.521 -6.479 1.00 0.61 H new ATOM 0 HG2 GLN A 17 15.938 -2.658 -4.939 1.00 0.67 H new ATOM 0 HG3 GLN A 17 17.453 -3.440 -4.531 1.00 0.67 H new ATOM 0 HE21 GLN A 17 15.663 -1.669 -6.981 1.00 1.52 H new ATOM 0 HE22 GLN A 17 17.042 -1.332 -8.033 1.00 1.52 H new ATOM 222 N LEU A 18 14.073 -4.567 -2.693 1.00 0.34 N ATOM 223 CA LEU A 18 12.911 -3.942 -2.094 1.00 0.27 C ATOM 224 C LEU A 18 13.298 -2.766 -1.201 1.00 0.31 C ATOM 225 O LEU A 18 14.294 -2.816 -0.478 1.00 0.42 O ATOM 226 CB LEU A 18 12.137 -4.986 -1.290 1.00 0.24 C ATOM 227 CG LEU A 18 11.664 -6.189 -2.104 1.00 0.21 C ATOM 228 CD1 LEU A 18 11.276 -7.343 -1.200 1.00 0.25 C ATOM 229 CD2 LEU A 18 10.494 -5.801 -2.980 1.00 0.17 C ATOM 0 H LEU A 18 14.700 -5.018 -2.027 1.00 0.34 H new ATOM 0 HA LEU A 18 12.283 -3.548 -2.893 1.00 0.27 H new ATOM 0 HB2 LEU A 18 12.768 -5.340 -0.475 1.00 0.24 H new ATOM 0 HB3 LEU A 18 11.270 -4.507 -0.836 1.00 0.24 H new ATOM 0 HG LEU A 18 12.491 -6.514 -2.735 1.00 0.21 H new ATOM 0 HD11 LEU A 18 10.943 -8.185 -1.807 1.00 0.25 H new ATOM 0 HD12 LEU A 18 12.137 -7.644 -0.604 1.00 0.25 H new ATOM 0 HD13 LEU A 18 10.468 -7.031 -0.538 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.167 -6.667 -3.555 1.00 0.17 H new ATOM 0 HD22 LEU A 18 9.673 -5.449 -2.356 1.00 0.17 H new ATOM 0 HD23 LEU A 18 10.798 -5.007 -3.662 1.00 0.17 H new ATOM 241 N VAL A 19 12.502 -1.714 -1.268 1.00 0.29 N ATOM 242 CA VAL A 19 12.668 -0.547 -0.418 1.00 0.32 C ATOM 243 C VAL A 19 11.508 -0.478 0.571 1.00 0.30 C ATOM 244 O VAL A 19 10.341 -0.586 0.187 1.00 0.27 O ATOM 245 CB VAL A 19 12.759 0.762 -1.247 1.00 0.36 C ATOM 246 CG1 VAL A 19 11.582 0.900 -2.203 1.00 0.34 C ATOM 247 CG2 VAL A 19 12.855 1.980 -0.339 1.00 0.42 C ATOM 0 H VAL A 19 11.718 -1.644 -1.917 1.00 0.29 H new ATOM 0 HA VAL A 19 13.608 -0.646 0.125 1.00 0.32 H new ATOM 0 HB VAL A 19 13.670 0.706 -1.843 1.00 0.36 H new ATOM 0 HG11 VAL A 19 11.678 1.828 -2.767 1.00 0.34 H new ATOM 0 HG12 VAL A 19 11.572 0.056 -2.892 1.00 0.34 H new ATOM 0 HG13 VAL A 19 10.652 0.916 -1.635 1.00 0.34 H new ATOM 0 HG21 VAL A 19 12.918 2.883 -0.947 1.00 0.42 H new ATOM 0 HG22 VAL A 19 11.971 2.031 0.296 1.00 0.42 H new ATOM 0 HG23 VAL A 19 13.746 1.900 0.284 1.00 0.42 H new ATOM 257 N SER A 20 11.830 -0.334 1.847 1.00 0.34 N ATOM 258 CA SER A 20 10.823 -0.422 2.890 1.00 0.33 C ATOM 259 C SER A 20 10.451 0.958 3.420 1.00 0.33 C ATOM 260 O SER A 20 11.163 1.942 3.211 1.00 0.35 O ATOM 261 CB SER A 20 11.324 -1.315 4.031 1.00 0.39 C ATOM 262 OG SER A 20 10.275 -1.646 4.932 1.00 0.47 O ATOM 0 H SER A 20 12.777 -0.157 2.183 1.00 0.34 H new ATOM 0 HA SER A 20 9.926 -0.865 2.458 1.00 0.33 H new ATOM 0 HB2 SER A 20 11.753 -2.228 3.618 1.00 0.39 H new ATOM 0 HB3 SER A 20 12.121 -0.804 4.571 1.00 0.39 H new ATOM 0 HG SER A 20 9.438 -1.755 4.434 1.00 0.47 H new ATOM 268 N CYS A 21 9.313 1.002 4.098 1.00 0.33 N ATOM 269 CA CYS A 21 8.784 2.225 4.675 1.00 0.35 C ATOM 270 C CYS A 21 9.615 2.636 5.890 1.00 0.40 C ATOM 271 O CYS A 21 10.027 1.787 6.684 1.00 0.43 O ATOM 272 CB CYS A 21 7.335 1.978 5.085 1.00 0.37 C ATOM 273 SG CYS A 21 6.302 3.450 5.204 1.00 0.34 S ATOM 0 H CYS A 21 8.728 0.183 4.263 1.00 0.33 H new ATOM 0 HA CYS A 21 8.830 3.032 3.944 1.00 0.35 H new ATOM 0 HB2 CYS A 21 6.883 1.295 4.365 1.00 0.37 H new ATOM 0 HB3 CYS A 21 7.330 1.472 6.051 1.00 0.37 H new ATOM 278 N LYS A 22 9.843 3.934 6.046 1.00 0.52 N ATOM 279 CA LYS A 22 10.693 4.435 7.119 1.00 0.61 C ATOM 280 C LYS A 22 9.869 4.717 8.379 1.00 0.63 C ATOM 281 O LYS A 22 10.312 5.409 9.299 1.00 0.78 O ATOM 282 CB LYS A 22 11.421 5.696 6.648 1.00 0.74 C ATOM 283 CG LYS A 22 12.598 6.091 7.523 1.00 1.35 C ATOM 284 CD LYS A 22 13.294 7.331 6.993 1.00 1.65 C ATOM 285 CE LYS A 22 14.493 7.706 7.846 1.00 2.25 C ATOM 286 NZ LYS A 22 14.107 8.025 9.246 1.00 2.79 N ATOM 0 H LYS A 22 9.452 4.658 5.444 1.00 0.52 H new ATOM 0 HA LYS A 22 11.432 3.675 7.372 1.00 0.61 H new ATOM 0 HB2 LYS A 22 11.775 5.540 5.629 1.00 0.74 H new ATOM 0 HB3 LYS A 22 10.711 6.523 6.616 1.00 0.74 H new ATOM 0 HG2 LYS A 22 12.251 6.274 8.540 1.00 1.35 H new ATOM 0 HG3 LYS A 22 13.309 5.266 7.572 1.00 1.35 H new ATOM 0 HD2 LYS A 22 13.617 7.157 5.967 1.00 1.65 H new ATOM 0 HD3 LYS A 22 12.589 8.162 6.969 1.00 1.65 H new ATOM 0 HE2 LYS A 22 15.208 6.884 7.846 1.00 2.25 H new ATOM 0 HE3 LYS A 22 14.996 8.566 7.404 1.00 2.25 H new ATOM 0 HZ1 LYS A 22 14.911 8.467 9.736 1.00 2.79 H new ATOM 0 HZ2 LYS A 22 13.300 8.681 9.243 1.00 2.79 H new ATOM 0 HZ3 LYS A 22 13.839 7.150 9.740 1.00 2.79 H new ATOM 300 N LYS A 23 8.664 4.169 8.419 1.00 0.60 N ATOM 301 CA LYS A 23 7.791 4.333 9.569 1.00 0.66 C ATOM 302 C LYS A 23 7.591 3.005 10.289 1.00 0.65 C ATOM 303 O LYS A 23 7.104 2.039 9.695 1.00 0.61 O ATOM 304 CB LYS A 23 6.429 4.884 9.142 1.00 0.75 C ATOM 305 CG LYS A 23 5.483 5.119 10.312 1.00 1.23 C ATOM 306 CD LYS A 23 4.108 5.576 9.853 1.00 1.50 C ATOM 307 CE LYS A 23 4.184 6.839 9.008 1.00 1.95 C ATOM 308 NZ LYS A 23 2.842 7.292 8.567 1.00 2.27 N ATOM 0 H LYS A 23 8.269 3.606 7.666 1.00 0.60 H new ATOM 0 HA LYS A 23 8.268 5.041 10.247 1.00 0.66 H new ATOM 0 HB2 LYS A 23 6.575 5.823 8.607 1.00 0.75 H new ATOM 0 HB3 LYS A 23 5.966 4.188 8.443 1.00 0.75 H new ATOM 0 HG2 LYS A 23 5.385 4.199 10.889 1.00 1.23 H new ATOM 0 HG3 LYS A 23 5.910 5.869 10.978 1.00 1.23 H new ATOM 0 HD2 LYS A 23 3.635 4.781 9.276 1.00 1.50 H new ATOM 0 HD3 LYS A 23 3.477 5.758 10.723 1.00 1.50 H new ATOM 0 HE2 LYS A 23 4.664 7.631 9.582 1.00 1.95 H new ATOM 0 HE3 LYS A 23 4.810 6.654 8.135 1.00 1.95 H new ATOM 0 HZ1 LYS A 23 2.942 7.935 7.756 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 2.272 6.468 8.287 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 2.370 7.790 9.348 1.00 2.27 H new ATOM 322 N PRO A 24 7.978 2.932 11.575 1.00 0.77 N ATOM 323 CA PRO A 24 7.711 1.760 12.411 1.00 0.83 C ATOM 324 C PRO A 24 6.220 1.440 12.455 1.00 0.80 C ATOM 325 O PRO A 24 5.384 2.341 12.594 1.00 0.86 O ATOM 326 CB PRO A 24 8.208 2.180 13.797 1.00 1.01 C ATOM 327 CG PRO A 24 9.207 3.250 13.533 1.00 1.18 C ATOM 328 CD PRO A 24 8.718 3.975 12.307 1.00 0.93 C ATOM 0 HA PRO A 24 8.200 0.862 12.034 1.00 0.83 H new ATOM 0 HB2 PRO A 24 7.390 2.547 14.417 1.00 1.01 H new ATOM 0 HB3 PRO A 24 8.658 1.341 14.327 1.00 1.01 H new ATOM 0 HG2 PRO A 24 9.287 3.928 14.382 1.00 1.18 H new ATOM 0 HG3 PRO A 24 10.198 2.827 13.368 1.00 1.18 H new ATOM 0 HD2 PRO A 24 8.077 4.818 12.566 1.00 0.93 H new ATOM 0 HD3 PRO A 24 9.544 4.372 11.717 1.00 0.93 H new ATOM 336 N GLY A 25 5.889 0.165 12.328 1.00 0.76 N ATOM 337 CA GLY A 25 4.500 -0.237 12.273 1.00 0.75 C ATOM 338 C GLY A 25 4.080 -0.618 10.867 1.00 0.65 C ATOM 339 O GLY A 25 3.068 -1.291 10.671 1.00 0.83 O ATOM 0 H GLY A 25 6.560 -0.601 12.262 1.00 0.76 H new ATOM 0 HA2 GLY A 25 4.339 -1.082 12.942 1.00 0.75 H new ATOM 0 HA3 GLY A 25 3.871 0.578 12.632 1.00 0.75 H new ATOM 343 N CYS A 26 4.853 -0.174 9.885 1.00 0.48 N ATOM 344 CA CYS A 26 4.602 -0.520 8.495 1.00 0.39 C ATOM 345 C CYS A 26 5.596 -1.595 8.062 1.00 0.34 C ATOM 346 O CYS A 26 6.781 -1.316 7.876 1.00 0.40 O ATOM 347 CB CYS A 26 4.754 0.730 7.626 1.00 0.44 C ATOM 348 SG CYS A 26 4.015 0.631 5.978 1.00 0.35 S ATOM 0 H CYS A 26 5.663 0.430 10.028 1.00 0.48 H new ATOM 0 HA CYS A 26 3.589 -0.905 8.381 1.00 0.39 H new ATOM 0 HB2 CYS A 26 4.309 1.574 8.154 1.00 0.44 H new ATOM 0 HB3 CYS A 26 5.816 0.947 7.516 1.00 0.44 H new ATOM 353 N PRO A 27 5.138 -2.847 7.930 1.00 0.37 N ATOM 354 CA PRO A 27 5.998 -3.966 7.560 1.00 0.45 C ATOM 355 C PRO A 27 6.077 -4.179 6.053 1.00 0.45 C ATOM 356 O PRO A 27 6.722 -5.115 5.583 1.00 0.66 O ATOM 357 CB PRO A 27 5.292 -5.143 8.231 1.00 0.57 C ATOM 358 CG PRO A 27 3.837 -4.798 8.161 1.00 0.57 C ATOM 359 CD PRO A 27 3.747 -3.287 8.166 1.00 0.44 C ATOM 0 HA PRO A 27 7.033 -3.818 7.867 1.00 0.45 H new ATOM 0 HB2 PRO A 27 5.503 -6.079 7.714 1.00 0.57 H new ATOM 0 HB3 PRO A 27 5.621 -5.267 9.263 1.00 0.57 H new ATOM 0 HG2 PRO A 27 3.385 -5.210 7.259 1.00 0.57 H new ATOM 0 HG3 PRO A 27 3.298 -5.221 9.009 1.00 0.57 H new ATOM 0 HD2 PRO A 27 3.076 -2.924 7.388 1.00 0.44 H new ATOM 0 HD3 PRO A 27 3.365 -2.913 9.116 1.00 0.44 H new ATOM 367 N LYS A 28 5.439 -3.295 5.299 1.00 0.30 N ATOM 368 CA LYS A 28 5.292 -3.491 3.864 1.00 0.30 C ATOM 369 C LYS A 28 6.521 -3.003 3.104 1.00 0.27 C ATOM 370 O LYS A 28 7.239 -2.104 3.561 1.00 0.31 O ATOM 371 CB LYS A 28 4.026 -2.786 3.360 1.00 0.32 C ATOM 372 CG LYS A 28 3.098 -3.700 2.564 1.00 0.42 C ATOM 373 CD LYS A 28 2.745 -4.958 3.348 1.00 0.52 C ATOM 374 CE LYS A 28 1.734 -5.811 2.606 1.00 0.70 C ATOM 375 NZ LYS A 28 1.651 -7.181 3.175 1.00 1.00 N ATOM 0 H LYS A 28 5.016 -2.438 5.656 1.00 0.30 H new ATOM 0 HA LYS A 28 5.197 -4.561 3.678 1.00 0.30 H new ATOM 0 HB2 LYS A 28 3.481 -2.381 4.213 1.00 0.32 H new ATOM 0 HB3 LYS A 28 4.314 -1.941 2.735 1.00 0.32 H new ATOM 0 HG2 LYS A 28 2.186 -3.161 2.309 1.00 0.42 H new ATOM 0 HG3 LYS A 28 3.577 -3.978 1.625 1.00 0.42 H new ATOM 0 HD2 LYS A 28 3.649 -5.539 3.531 1.00 0.52 H new ATOM 0 HD3 LYS A 28 2.343 -4.680 4.322 1.00 0.52 H new ATOM 0 HE2 LYS A 28 0.753 -5.337 2.653 1.00 0.70 H new ATOM 0 HE3 LYS A 28 2.010 -5.870 1.553 1.00 0.70 H new ATOM 0 HZ1 LYS A 28 0.870 -7.698 2.723 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 2.545 -7.684 3.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.480 -7.122 4.199 1.00 1.00 H new ATOM 389 N VAL A 29 6.763 -3.605 1.946 1.00 0.23 N ATOM 390 CA VAL A 29 7.940 -3.297 1.154 1.00 0.20 C ATOM 391 C VAL A 29 7.618 -3.409 -0.342 1.00 0.18 C ATOM 392 O VAL A 29 6.720 -4.160 -0.738 1.00 0.21 O ATOM 393 CB VAL A 29 9.099 -4.243 1.528 1.00 0.22 C ATOM 394 CG1 VAL A 29 8.972 -5.580 0.833 1.00 0.31 C ATOM 395 CG2 VAL A 29 10.439 -3.606 1.243 1.00 0.44 C ATOM 0 H VAL A 29 6.154 -4.313 1.535 1.00 0.23 H new ATOM 0 HA VAL A 29 8.247 -2.273 1.367 1.00 0.20 H new ATOM 0 HB VAL A 29 9.037 -4.425 2.601 1.00 0.22 H new ATOM 0 HG11 VAL A 29 9.806 -6.220 1.121 1.00 0.31 H new ATOM 0 HG12 VAL A 29 8.034 -6.053 1.124 1.00 0.31 H new ATOM 0 HG13 VAL A 29 8.984 -5.431 -0.247 1.00 0.31 H new ATOM 0 HG21 VAL A 29 11.236 -4.297 1.517 1.00 0.44 H new ATOM 0 HG22 VAL A 29 10.512 -3.371 0.181 1.00 0.44 H new ATOM 0 HG23 VAL A 29 10.537 -2.690 1.825 1.00 0.44 H new ATOM 405 N TYR A 30 8.339 -2.652 -1.165 1.00 0.19 N ATOM 406 CA TYR A 30 8.052 -2.574 -2.598 1.00 0.20 C ATOM 407 C TYR A 30 9.350 -2.371 -3.369 1.00 0.20 C ATOM 408 O TYR A 30 10.382 -2.087 -2.777 1.00 0.21 O ATOM 409 CB TYR A 30 7.112 -1.398 -2.900 1.00 0.29 C ATOM 410 CG TYR A 30 6.004 -1.204 -1.885 1.00 0.37 C ATOM 411 CD1 TYR A 30 4.841 -1.960 -1.936 1.00 0.44 C ATOM 412 CD2 TYR A 30 6.131 -0.264 -0.869 1.00 0.47 C ATOM 413 CE1 TYR A 30 3.836 -1.786 -1.002 1.00 0.55 C ATOM 414 CE2 TYR A 30 5.131 -0.086 0.064 1.00 0.57 C ATOM 415 CZ TYR A 30 3.988 -0.849 -0.006 1.00 0.60 C ATOM 416 OH TYR A 30 2.994 -0.673 0.927 1.00 0.72 O ATOM 0 H TYR A 30 9.129 -2.081 -0.864 1.00 0.19 H new ATOM 0 HA TYR A 30 7.572 -3.504 -2.902 1.00 0.20 H new ATOM 0 HB2 TYR A 30 7.701 -0.483 -2.955 1.00 0.29 H new ATOM 0 HB3 TYR A 30 6.665 -1.549 -3.883 1.00 0.29 H new ATOM 0 HD1 TYR A 30 4.719 -2.696 -2.717 1.00 0.44 H new ATOM 0 HD2 TYR A 30 7.027 0.336 -0.809 1.00 0.47 H new ATOM 0 HE1 TYR A 30 2.937 -2.382 -1.054 1.00 0.55 H new ATOM 0 HE2 TYR A 30 5.245 0.650 0.847 1.00 0.57 H new ATOM 0 HH TYR A 30 3.260 0.026 1.560 1.00 0.72 H new ATOM 426 N HIS A 31 9.301 -2.526 -4.684 1.00 0.23 N ATOM 427 CA HIS A 31 10.464 -2.236 -5.524 1.00 0.26 C ATOM 428 C HIS A 31 10.521 -0.744 -5.788 1.00 0.32 C ATOM 429 O HIS A 31 9.492 -0.104 -5.998 1.00 0.35 O ATOM 430 CB HIS A 31 10.396 -2.961 -6.875 1.00 0.28 C ATOM 431 CG HIS A 31 10.249 -4.441 -6.786 1.00 0.26 C ATOM 432 ND1 HIS A 31 9.155 -5.078 -7.309 1.00 0.30 N ATOM 433 CD2 HIS A 31 11.079 -5.355 -6.240 1.00 0.26 C ATOM 434 CE1 HIS A 31 9.337 -6.365 -7.066 1.00 0.31 C ATOM 435 NE2 HIS A 31 10.495 -6.585 -6.422 1.00 0.28 N ATOM 0 H HIS A 31 8.478 -2.848 -5.193 1.00 0.23 H new ATOM 0 HA HIS A 31 11.350 -2.583 -4.993 1.00 0.26 H new ATOM 0 HB2 HIS A 31 9.557 -2.561 -7.444 1.00 0.28 H new ATOM 0 HB3 HIS A 31 11.301 -2.734 -7.439 1.00 0.28 H new ATOM 0 HD2 HIS A 31 12.022 -5.157 -5.753 1.00 0.26 H new ATOM 0 HE1 HIS A 31 8.642 -7.142 -7.350 1.00 0.31 H new ATOM 0 HE2 HIS A 31 10.867 -7.487 -6.126 1.00 0.28 H new ATOM 443 N ALA A 32 11.720 -0.197 -5.792 1.00 0.38 N ATOM 444 CA ALA A 32 11.905 1.210 -6.078 1.00 0.45 C ATOM 445 C ALA A 32 11.493 1.517 -7.512 1.00 0.48 C ATOM 446 O ALA A 32 11.003 2.605 -7.811 1.00 0.55 O ATOM 447 CB ALA A 32 13.350 1.612 -5.831 1.00 0.53 C ATOM 0 H ALA A 32 12.582 -0.707 -5.600 1.00 0.38 H new ATOM 0 HA ALA A 32 11.270 1.792 -5.410 1.00 0.45 H new ATOM 0 HB1 ALA A 32 13.475 2.672 -6.050 1.00 0.53 H new ATOM 0 HB2 ALA A 32 13.607 1.424 -4.789 1.00 0.53 H new ATOM 0 HB3 ALA A 32 14.006 1.028 -6.477 1.00 0.53 H new ATOM 453 N ASP A 33 11.692 0.543 -8.395 1.00 0.48 N ATOM 454 CA ASP A 33 11.341 0.703 -9.801 1.00 0.55 C ATOM 455 C ASP A 33 9.828 0.793 -10.009 1.00 0.54 C ATOM 456 O ASP A 33 9.353 1.670 -10.728 1.00 0.62 O ATOM 457 CB ASP A 33 11.921 -0.427 -10.652 1.00 0.60 C ATOM 458 CG ASP A 33 11.607 -0.237 -12.122 1.00 1.35 C ATOM 459 OD1 ASP A 33 10.752 -0.978 -12.654 1.00 1.90 O ATOM 460 OD2 ASP A 33 12.215 0.650 -12.756 1.00 2.01 O ATOM 0 H ASP A 33 12.094 -0.365 -8.161 1.00 0.48 H new ATOM 0 HA ASP A 33 11.781 1.646 -10.125 1.00 0.55 H new ATOM 0 HB2 ASP A 33 13.001 -0.470 -10.513 1.00 0.60 H new ATOM 0 HB3 ASP A 33 11.518 -1.382 -10.314 1.00 0.60 H new ATOM 465 N CYS A 34 9.064 -0.094 -9.370 1.00 0.48 N ATOM 466 CA CYS A 34 7.615 -0.110 -9.564 1.00 0.52 C ATOM 467 C CYS A 34 6.970 1.078 -8.852 1.00 0.56 C ATOM 468 O CYS A 34 5.831 1.450 -9.140 1.00 0.67 O ATOM 469 CB CYS A 34 7.003 -1.444 -9.091 1.00 0.50 C ATOM 470 SG CYS A 34 7.492 -1.948 -7.427 1.00 0.44 S ATOM 0 H CYS A 34 9.418 -0.800 -8.724 1.00 0.48 H new ATOM 0 HA CYS A 34 7.412 -0.020 -10.631 1.00 0.52 H new ATOM 0 HB2 CYS A 34 5.917 -1.363 -9.127 1.00 0.50 H new ATOM 0 HB3 CYS A 34 7.288 -2.228 -9.792 1.00 0.50 H new ATOM 475 N LEU A 35 7.711 1.674 -7.928 1.00 0.52 N ATOM 476 CA LEU A 35 7.275 2.891 -7.256 1.00 0.58 C ATOM 477 C LEU A 35 7.690 4.130 -8.046 1.00 0.67 C ATOM 478 O LEU A 35 7.338 5.257 -7.692 1.00 0.74 O ATOM 479 CB LEU A 35 7.870 2.962 -5.853 1.00 0.55 C ATOM 480 CG LEU A 35 7.402 1.886 -4.879 1.00 0.49 C ATOM 481 CD1 LEU A 35 8.237 1.940 -3.616 1.00 0.48 C ATOM 482 CD2 LEU A 35 5.931 2.065 -4.546 1.00 0.54 C ATOM 0 H LEU A 35 8.623 1.332 -7.625 1.00 0.52 H new ATOM 0 HA LEU A 35 6.187 2.865 -7.189 1.00 0.58 H new ATOM 0 HB2 LEU A 35 8.955 2.904 -5.936 1.00 0.55 H new ATOM 0 HB3 LEU A 35 7.635 3.938 -5.428 1.00 0.55 H new ATOM 0 HG LEU A 35 7.527 0.911 -5.349 1.00 0.49 H new ATOM 0 HD11 LEU A 35 7.899 1.169 -2.923 1.00 0.48 H new ATOM 0 HD12 LEU A 35 9.285 1.770 -3.865 1.00 0.48 H new ATOM 0 HD13 LEU A 35 8.129 2.919 -3.150 1.00 0.48 H new ATOM 0 HD21 LEU A 35 5.618 1.287 -3.850 1.00 0.54 H new ATOM 0 HD22 LEU A 35 5.778 3.043 -4.090 1.00 0.54 H new ATOM 0 HD23 LEU A 35 5.340 1.994 -5.459 1.00 0.54 H new ATOM 494 N ASN A 36 8.451 3.896 -9.114 1.00 0.68 N ATOM 495 CA ASN A 36 8.970 4.953 -9.980 1.00 0.77 C ATOM 496 C ASN A 36 9.843 5.914 -9.176 1.00 0.78 C ATOM 497 O ASN A 36 9.785 7.131 -9.342 1.00 0.87 O ATOM 498 CB ASN A 36 7.823 5.696 -10.684 1.00 0.86 C ATOM 499 CG ASN A 36 8.296 6.544 -11.857 1.00 1.46 C ATOM 500 OD1 ASN A 36 8.520 6.033 -12.954 1.00 2.09 O ATOM 501 ND2 ASN A 36 8.418 7.847 -11.648 1.00 2.13 N ATOM 0 H ASN A 36 8.727 2.958 -9.405 1.00 0.68 H new ATOM 0 HA ASN A 36 9.589 4.498 -10.753 1.00 0.77 H new ATOM 0 HB2 ASN A 36 7.091 4.970 -11.039 1.00 0.86 H new ATOM 0 HB3 ASN A 36 7.314 6.335 -9.962 1.00 0.86 H new ATOM 0 HD21 ASN A 36 8.706 8.461 -12.410 1.00 2.13 H new ATOM 0 HD22 ASN A 36 8.224 8.236 -10.725 1.00 2.13 H new ATOM 508 N LEU A 37 10.655 5.353 -8.291 1.00 0.71 N ATOM 509 CA LEU A 37 11.565 6.147 -7.484 1.00 0.75 C ATOM 510 C LEU A 37 12.834 6.454 -8.267 1.00 0.83 C ATOM 511 O LEU A 37 13.860 5.799 -8.085 1.00 0.88 O ATOM 512 CB LEU A 37 11.924 5.422 -6.183 1.00 0.69 C ATOM 513 CG LEU A 37 10.782 5.255 -5.174 1.00 0.69 C ATOM 514 CD1 LEU A 37 11.278 4.551 -3.919 1.00 0.69 C ATOM 515 CD2 LEU A 37 10.176 6.602 -4.814 1.00 0.78 C ATOM 0 H LEU A 37 10.701 4.349 -8.115 1.00 0.71 H new ATOM 0 HA LEU A 37 11.061 7.080 -7.232 1.00 0.75 H new ATOM 0 HB2 LEU A 37 12.309 4.434 -6.434 1.00 0.69 H new ATOM 0 HB3 LEU A 37 12.735 5.966 -5.698 1.00 0.69 H new ATOM 0 HG LEU A 37 10.009 4.643 -5.638 1.00 0.69 H new ATOM 0 HD11 LEU A 37 10.454 4.441 -3.214 1.00 0.69 H new ATOM 0 HD12 LEU A 37 11.664 3.566 -4.183 1.00 0.69 H new ATOM 0 HD13 LEU A 37 12.072 5.141 -3.460 1.00 0.69 H new ATOM 0 HD21 LEU A 37 9.368 6.457 -4.097 1.00 0.78 H new ATOM 0 HD22 LEU A 37 10.942 7.240 -4.373 1.00 0.78 H new ATOM 0 HD23 LEU A 37 9.783 7.076 -5.713 1.00 0.78 H new ATOM 527 N THR A 38 12.748 7.430 -9.157 1.00 0.91 N ATOM 528 CA THR A 38 13.905 7.884 -9.908 1.00 1.03 C ATOM 529 C THR A 38 14.893 8.586 -8.976 1.00 1.04 C ATOM 530 O THR A 38 16.109 8.522 -9.165 1.00 1.14 O ATOM 531 CB THR A 38 13.469 8.838 -11.033 1.00 1.16 C ATOM 532 OG1 THR A 38 12.378 8.250 -11.758 1.00 1.43 O ATOM 533 CG2 THR A 38 14.616 9.124 -11.989 1.00 1.59 C ATOM 0 H THR A 38 11.883 7.925 -9.377 1.00 0.91 H new ATOM 0 HA THR A 38 14.395 7.019 -10.354 1.00 1.03 H new ATOM 0 HB THR A 38 13.158 9.780 -10.582 1.00 1.16 H new ATOM 0 HG1 THR A 38 12.097 8.856 -12.475 1.00 1.43 H new ATOM 0 HG21 THR A 38 14.276 9.801 -12.773 1.00 1.59 H new ATOM 0 HG22 THR A 38 15.439 9.585 -11.443 1.00 1.59 H new ATOM 0 HG23 THR A 38 14.957 8.191 -12.438 1.00 1.59 H new ATOM 541 N LYS A 39 14.350 9.239 -7.959 1.00 0.99 N ATOM 542 CA LYS A 39 15.152 9.872 -6.927 1.00 1.02 C ATOM 543 C LYS A 39 15.150 8.992 -5.683 1.00 0.94 C ATOM 544 O LYS A 39 14.194 8.252 -5.443 1.00 0.96 O ATOM 545 CB LYS A 39 14.599 11.258 -6.569 1.00 1.12 C ATOM 546 CG LYS A 39 14.562 12.246 -7.731 1.00 1.57 C ATOM 547 CD LYS A 39 15.957 12.557 -8.254 1.00 1.98 C ATOM 548 CE LYS A 39 15.947 13.739 -9.216 1.00 2.58 C ATOM 549 NZ LYS A 39 15.056 13.508 -10.385 1.00 3.17 N ATOM 0 H LYS A 39 13.344 9.344 -7.828 1.00 0.99 H new ATOM 0 HA LYS A 39 16.167 9.994 -7.304 1.00 1.02 H new ATOM 0 HB2 LYS A 39 13.589 11.141 -6.176 1.00 1.12 H new ATOM 0 HB3 LYS A 39 15.206 11.681 -5.768 1.00 1.12 H new ATOM 0 HG2 LYS A 39 13.955 11.836 -8.538 1.00 1.57 H new ATOM 0 HG3 LYS A 39 14.081 13.169 -7.408 1.00 1.57 H new ATOM 0 HD2 LYS A 39 16.620 12.775 -7.416 1.00 1.98 H new ATOM 0 HD3 LYS A 39 16.360 11.680 -8.760 1.00 1.98 H new ATOM 0 HE2 LYS A 39 15.622 14.634 -8.685 1.00 2.58 H new ATOM 0 HE3 LYS A 39 16.962 13.928 -9.567 1.00 2.58 H new ATOM 0 HZ1 LYS A 39 15.159 14.292 -11.060 1.00 3.17 H new ATOM 0 HZ2 LYS A 39 15.317 12.615 -10.849 1.00 3.17 H new ATOM 0 HZ3 LYS A 39 14.068 13.456 -10.064 1.00 3.17 H new ATOM 563 N ARG A 40 16.217 9.060 -4.906 1.00 0.97 N ATOM 564 CA ARG A 40 16.296 8.306 -3.665 1.00 0.95 C ATOM 565 C ARG A 40 15.783 9.152 -2.508 1.00 0.91 C ATOM 566 O ARG A 40 16.349 10.202 -2.202 1.00 1.01 O ATOM 567 CB ARG A 40 17.730 7.846 -3.399 1.00 1.10 C ATOM 568 CG ARG A 40 18.196 6.766 -4.360 1.00 1.80 C ATOM 569 CD ARG A 40 19.635 6.357 -4.097 1.00 1.93 C ATOM 570 NE ARG A 40 19.829 5.846 -2.739 1.00 2.49 N ATOM 571 CZ ARG A 40 20.082 4.569 -2.446 1.00 2.88 C ATOM 572 NH1 ARG A 40 20.109 3.653 -3.409 1.00 2.66 N ATOM 573 NH2 ARG A 40 20.296 4.205 -1.188 1.00 3.84 N ATOM 0 H ARG A 40 17.039 9.628 -5.111 1.00 0.97 H new ATOM 0 HA ARG A 40 15.669 7.419 -3.757 1.00 0.95 H new ATOM 0 HB2 ARG A 40 18.400 8.703 -3.472 1.00 1.10 H new ATOM 0 HB3 ARG A 40 17.802 7.471 -2.378 1.00 1.10 H new ATOM 0 HG2 ARG A 40 17.548 5.894 -4.268 1.00 1.80 H new ATOM 0 HG3 ARG A 40 18.102 7.126 -5.384 1.00 1.80 H new ATOM 0 HD2 ARG A 40 19.930 5.593 -4.816 1.00 1.93 H new ATOM 0 HD3 ARG A 40 20.289 7.214 -4.257 1.00 1.93 H new ATOM 0 HE ARG A 40 19.767 6.509 -1.967 1.00 2.49 H new ATOM 0 HH11 ARG A 40 19.936 3.925 -4.377 1.00 2.66 H new ATOM 0 HH12 ARG A 40 20.303 2.678 -3.180 1.00 2.66 H new ATOM 0 HH21 ARG A 40 20.267 4.902 -0.444 1.00 3.84 H new ATOM 0 HH22 ARG A 40 20.489 3.229 -0.965 1.00 3.84 H new ATOM 587 N PRO A 41 14.689 8.718 -1.865 1.00 0.85 N ATOM 588 CA PRO A 41 14.067 9.474 -0.777 1.00 0.87 C ATOM 589 C PRO A 41 14.915 9.486 0.494 1.00 0.96 C ATOM 590 O PRO A 41 15.408 8.446 0.941 1.00 1.05 O ATOM 591 CB PRO A 41 12.749 8.739 -0.536 1.00 0.88 C ATOM 592 CG PRO A 41 12.991 7.348 -1.007 1.00 0.96 C ATOM 593 CD PRO A 41 13.966 7.463 -2.152 1.00 0.86 C ATOM 0 HA PRO A 41 13.942 10.525 -1.038 1.00 0.87 H new ATOM 0 HB2 PRO A 41 12.475 8.756 0.519 1.00 0.88 H new ATOM 0 HB3 PRO A 41 11.931 9.205 -1.086 1.00 0.88 H new ATOM 0 HG2 PRO A 41 13.399 6.730 -0.207 1.00 0.96 H new ATOM 0 HG3 PRO A 41 12.062 6.878 -1.331 1.00 0.96 H new ATOM 0 HD2 PRO A 41 14.643 6.610 -2.190 1.00 0.86 H new ATOM 0 HD3 PRO A 41 13.453 7.506 -3.113 1.00 0.86 H new ATOM 601 N ALA A 42 15.078 10.666 1.070 1.00 1.05 N ATOM 602 CA ALA A 42 15.850 10.832 2.288 1.00 1.18 C ATOM 603 C ALA A 42 15.113 11.758 3.248 1.00 1.15 C ATOM 604 O ALA A 42 14.725 12.866 2.874 1.00 1.21 O ATOM 605 CB ALA A 42 17.230 11.381 1.963 1.00 1.41 C ATOM 0 H ALA A 42 14.680 11.532 0.707 1.00 1.05 H new ATOM 0 HA ALA A 42 15.972 9.861 2.768 1.00 1.18 H new ATOM 0 HB1 ALA A 42 17.800 11.501 2.884 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.751 10.688 1.302 1.00 1.41 H new ATOM 0 HB3 ALA A 42 17.130 12.348 1.469 1.00 1.41 H new ATOM 611 N GLY A 43 14.914 11.304 4.477 1.00 1.17 N ATOM 612 CA GLY A 43 14.167 12.083 5.443 1.00 1.18 C ATOM 613 C GLY A 43 12.926 11.351 5.896 1.00 1.04 C ATOM 614 O GLY A 43 13.011 10.400 6.667 1.00 1.12 O ATOM 0 H GLY A 43 15.257 10.408 4.823 1.00 1.17 H new ATOM 0 HA2 GLY A 43 14.798 12.300 6.304 1.00 1.18 H new ATOM 0 HA3 GLY A 43 13.887 13.040 5.003 1.00 1.18 H new ATOM 618 N LYS A 44 11.774 11.780 5.405 1.00 1.00 N ATOM 619 CA LYS A 44 10.522 11.104 5.704 1.00 0.92 C ATOM 620 C LYS A 44 9.832 10.700 4.411 1.00 0.80 C ATOM 621 O LYS A 44 9.329 11.550 3.675 1.00 0.84 O ATOM 622 CB LYS A 44 9.588 12.003 6.516 1.00 1.04 C ATOM 623 CG LYS A 44 10.149 12.427 7.864 1.00 1.53 C ATOM 624 CD LYS A 44 9.109 13.156 8.701 1.00 1.94 C ATOM 625 CE LYS A 44 8.640 14.437 8.031 1.00 2.69 C ATOM 626 NZ LYS A 44 7.551 15.092 8.799 1.00 3.46 N ATOM 0 H LYS A 44 11.680 12.594 4.797 1.00 1.00 H new ATOM 0 HA LYS A 44 10.751 10.218 6.296 1.00 0.92 H new ATOM 0 HB2 LYS A 44 9.362 12.895 5.932 1.00 1.04 H new ATOM 0 HB3 LYS A 44 8.645 11.479 6.676 1.00 1.04 H new ATOM 0 HG2 LYS A 44 10.501 11.548 8.405 1.00 1.53 H new ATOM 0 HG3 LYS A 44 11.013 13.074 7.712 1.00 1.53 H new ATOM 0 HD2 LYS A 44 8.255 12.501 8.870 1.00 1.94 H new ATOM 0 HD3 LYS A 44 9.529 13.390 9.679 1.00 1.94 H new ATOM 0 HE2 LYS A 44 9.480 15.125 7.932 1.00 2.69 H new ATOM 0 HE3 LYS A 44 8.291 14.214 7.023 1.00 2.69 H new ATOM 0 HZ1 LYS A 44 7.257 15.962 8.311 1.00 3.46 H new ATOM 0 HZ2 LYS A 44 6.740 14.445 8.872 1.00 3.46 H new ATOM 0 HZ3 LYS A 44 7.892 15.328 9.753 1.00 3.46 H new ATOM 640 N TRP A 45 9.822 9.410 4.130 1.00 0.72 N ATOM 641 CA TRP A 45 9.159 8.904 2.946 1.00 0.62 C ATOM 642 C TRP A 45 7.959 8.054 3.328 1.00 0.53 C ATOM 643 O TRP A 45 8.105 6.971 3.900 1.00 0.53 O ATOM 644 CB TRP A 45 10.123 8.096 2.074 1.00 0.62 C ATOM 645 CG TRP A 45 9.454 7.493 0.874 1.00 0.55 C ATOM 646 CD1 TRP A 45 8.995 8.160 -0.225 1.00 0.57 C ATOM 647 CD2 TRP A 45 9.160 6.108 0.654 1.00 0.48 C ATOM 648 NE1 TRP A 45 8.426 7.281 -1.110 1.00 0.51 N ATOM 649 CE2 TRP A 45 8.517 6.013 -0.595 1.00 0.46 C ATOM 650 CE3 TRP A 45 9.376 4.939 1.391 1.00 0.47 C ATOM 651 CZ2 TRP A 45 8.087 4.800 -1.121 1.00 0.43 C ATOM 652 CZ3 TRP A 45 8.950 3.732 0.865 1.00 0.44 C ATOM 653 CH2 TRP A 45 8.313 3.671 -0.379 1.00 0.42 C ATOM 0 H TRP A 45 10.266 8.695 4.706 1.00 0.72 H new ATOM 0 HA TRP A 45 8.813 9.760 2.367 1.00 0.62 H new ATOM 0 HB2 TRP A 45 10.936 8.742 1.744 1.00 0.62 H new ATOM 0 HB3 TRP A 45 10.569 7.302 2.673 1.00 0.62 H new ATOM 0 HD1 TRP A 45 9.069 9.227 -0.376 1.00 0.57 H new ATOM 0 HE1 TRP A 45 8.004 7.529 -2.005 1.00 0.51 H new ATOM 0 HE3 TRP A 45 9.866 4.978 2.353 1.00 0.47 H new ATOM 0 HZ2 TRP A 45 7.593 4.750 -2.080 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 9.112 2.822 1.424 1.00 0.44 H new ATOM 0 HH2 TRP A 45 7.993 2.714 -0.762 1.00 0.42 H new ATOM 664 N GLU A 46 6.778 8.556 3.022 1.00 0.51 N ATOM 665 CA GLU A 46 5.554 7.815 3.257 1.00 0.48 C ATOM 666 C GLU A 46 5.284 6.893 2.078 1.00 0.39 C ATOM 667 O GLU A 46 5.183 7.357 0.940 1.00 0.42 O ATOM 668 CB GLU A 46 4.380 8.778 3.440 1.00 0.60 C ATOM 669 CG GLU A 46 4.517 9.692 4.645 1.00 1.17 C ATOM 670 CD GLU A 46 4.438 8.939 5.955 1.00 1.33 C ATOM 671 OE1 GLU A 46 5.496 8.502 6.454 1.00 1.73 O ATOM 672 OE2 GLU A 46 3.320 8.771 6.487 1.00 1.82 O ATOM 0 H GLU A 46 6.640 9.478 2.608 1.00 0.51 H new ATOM 0 HA GLU A 46 5.666 7.222 4.165 1.00 0.48 H new ATOM 0 HB2 GLU A 46 4.280 9.388 2.543 1.00 0.60 H new ATOM 0 HB3 GLU A 46 3.461 8.201 3.537 1.00 0.60 H new ATOM 0 HG2 GLU A 46 5.469 10.220 4.590 1.00 1.17 H new ATOM 0 HG3 GLU A 46 3.731 10.447 4.616 1.00 1.17 H new ATOM 679 N CYS A 47 5.195 5.590 2.335 1.00 0.32 N ATOM 680 CA CYS A 47 4.853 4.649 1.278 1.00 0.28 C ATOM 681 C CYS A 47 3.462 4.992 0.748 1.00 0.26 C ATOM 682 O CYS A 47 2.603 5.446 1.506 1.00 0.27 O ATOM 683 CB CYS A 47 4.899 3.194 1.787 1.00 0.28 C ATOM 684 SG CYS A 47 3.509 2.693 2.839 1.00 0.26 S ATOM 0 H CYS A 47 5.352 5.169 3.251 1.00 0.32 H new ATOM 0 HA CYS A 47 5.585 4.731 0.474 1.00 0.28 H new ATOM 0 HB2 CYS A 47 4.940 2.527 0.926 1.00 0.28 H new ATOM 0 HB3 CYS A 47 5.825 3.051 2.345 1.00 0.28 H new ATOM 689 N PRO A 48 3.225 4.801 -0.565 1.00 0.27 N ATOM 690 CA PRO A 48 1.956 5.180 -1.213 1.00 0.29 C ATOM 691 C PRO A 48 0.750 4.442 -0.638 1.00 0.27 C ATOM 692 O PRO A 48 -0.390 4.732 -0.992 1.00 0.30 O ATOM 693 CB PRO A 48 2.165 4.792 -2.683 1.00 0.35 C ATOM 694 CG PRO A 48 3.282 3.809 -2.668 1.00 0.34 C ATOM 695 CD PRO A 48 4.174 4.220 -1.530 1.00 0.29 C ATOM 0 HA PRO A 48 1.736 6.237 -1.062 1.00 0.29 H new ATOM 0 HB2 PRO A 48 1.261 4.356 -3.108 1.00 0.35 H new ATOM 0 HB3 PRO A 48 2.414 5.663 -3.289 1.00 0.35 H new ATOM 0 HG2 PRO A 48 2.909 2.795 -2.526 1.00 0.34 H new ATOM 0 HG3 PRO A 48 3.824 3.819 -3.613 1.00 0.34 H new ATOM 0 HD2 PRO A 48 4.710 3.369 -1.108 1.00 0.29 H new ATOM 0 HD3 PRO A 48 4.924 4.945 -1.846 1.00 0.29 H new ATOM 703 N TRP A 49 1.015 3.501 0.260 1.00 0.24 N ATOM 704 CA TRP A 49 -0.037 2.763 0.948 1.00 0.23 C ATOM 705 C TRP A 49 -0.581 3.602 2.108 1.00 0.23 C ATOM 706 O TRP A 49 -1.535 3.216 2.778 1.00 0.27 O ATOM 707 CB TRP A 49 0.518 1.428 1.458 1.00 0.22 C ATOM 708 CG TRP A 49 -0.503 0.334 1.591 1.00 0.22 C ATOM 709 CD1 TRP A 49 -1.550 0.074 0.749 1.00 0.25 C ATOM 710 CD2 TRP A 49 -0.554 -0.669 2.615 1.00 0.24 C ATOM 711 NE1 TRP A 49 -2.246 -1.030 1.188 1.00 0.27 N ATOM 712 CE2 TRP A 49 -1.655 -1.500 2.332 1.00 0.26 C ATOM 713 CE3 TRP A 49 0.227 -0.945 3.744 1.00 0.27 C ATOM 714 CZ2 TRP A 49 -1.995 -2.585 3.136 1.00 0.30 C ATOM 715 CZ3 TRP A 49 -0.113 -2.023 4.542 1.00 0.31 C ATOM 716 CH2 TRP A 49 -1.216 -2.832 4.234 1.00 0.32 C ATOM 0 H TRP A 49 1.960 3.229 0.531 1.00 0.24 H new ATOM 0 HA TRP A 49 -0.853 2.558 0.255 1.00 0.23 H new ATOM 0 HB2 TRP A 49 1.303 1.093 0.780 1.00 0.22 H new ATOM 0 HB3 TRP A 49 0.984 1.591 2.430 1.00 0.22 H new ATOM 0 HD1 TRP A 49 -1.795 0.650 -0.131 1.00 0.25 H new ATOM 0 HE1 TRP A 49 -3.067 -1.432 0.736 1.00 0.27 H new ATOM 0 HE3 TRP A 49 1.079 -0.328 3.987 1.00 0.27 H new ATOM 0 HZ2 TRP A 49 -2.844 -3.210 2.901 1.00 0.30 H new ATOM 0 HZ3 TRP A 49 0.481 -2.245 5.416 1.00 0.31 H new ATOM 0 HH2 TRP A 49 -1.456 -3.667 4.876 1.00 0.32 H new ATOM 727 N HIS A 50 0.058 4.743 2.358 1.00 0.23 N ATOM 728 CA HIS A 50 -0.461 5.720 3.309 1.00 0.24 C ATOM 729 C HIS A 50 -1.005 6.922 2.558 1.00 0.25 C ATOM 730 O HIS A 50 -1.331 7.945 3.158 1.00 0.29 O ATOM 731 CB HIS A 50 0.621 6.221 4.274 1.00 0.27 C ATOM 732 CG HIS A 50 1.378 5.153 4.994 1.00 0.28 C ATOM 733 ND1 HIS A 50 0.909 3.878 5.225 1.00 0.32 N ATOM 734 CD2 HIS A 50 2.624 5.196 5.519 1.00 0.30 C ATOM 735 CE1 HIS A 50 1.873 3.201 5.866 1.00 0.35 C ATOM 736 NE2 HIS A 50 2.937 3.962 6.066 1.00 0.34 N ATOM 0 H HIS A 50 0.936 5.013 1.914 1.00 0.23 H new ATOM 0 HA HIS A 50 -1.242 5.222 3.884 1.00 0.24 H new ATOM 0 HB2 HIS A 50 1.330 6.831 3.714 1.00 0.27 H new ATOM 0 HB3 HIS A 50 0.153 6.872 5.012 1.00 0.27 H new ATOM 0 HD2 HIS A 50 3.274 6.058 5.513 1.00 0.30 H new ATOM 0 HE1 HIS A 50 1.792 2.170 6.178 1.00 0.35 H new ATOM 0 HE2 HIS A 50 3.807 3.695 6.527 1.00 0.34 H new ATOM 744 N GLN A 51 -1.081 6.808 1.242 1.00 0.25 N ATOM 745 CA GLN A 51 -1.495 7.926 0.411 1.00 0.28 C ATOM 746 C GLN A 51 -2.749 7.583 -0.370 1.00 0.24 C ATOM 747 O GLN A 51 -2.817 6.564 -1.056 1.00 0.26 O ATOM 748 CB GLN A 51 -0.375 8.342 -0.544 1.00 0.38 C ATOM 749 CG GLN A 51 0.900 8.754 0.171 1.00 0.48 C ATOM 750 CD GLN A 51 0.767 10.071 0.918 1.00 0.55 C ATOM 751 OE1 GLN A 51 1.053 11.134 0.369 1.00 0.83 O ATOM 752 NE2 GLN A 51 0.318 10.021 2.165 1.00 0.86 N ATOM 0 H GLN A 51 -0.862 5.955 0.728 1.00 0.25 H new ATOM 0 HA GLN A 51 -1.716 8.766 1.070 1.00 0.28 H new ATOM 0 HB2 GLN A 51 -0.155 7.514 -1.218 1.00 0.38 H new ATOM 0 HB3 GLN A 51 -0.722 9.171 -1.161 1.00 0.38 H new ATOM 0 HG2 GLN A 51 1.184 7.971 0.875 1.00 0.48 H new ATOM 0 HG3 GLN A 51 1.707 8.836 -0.557 1.00 0.48 H new ATOM 0 HE21 GLN A 51 0.090 9.122 2.589 1.00 0.86 H new ATOM 0 HE22 GLN A 51 0.200 10.882 2.700 1.00 0.86 H new ATOM 761 N CYS A 52 -3.736 8.445 -0.253 1.00 0.23 N ATOM 762 CA CYS A 52 -5.004 8.264 -0.930 1.00 0.21 C ATOM 763 C CYS A 52 -4.805 8.374 -2.432 1.00 0.26 C ATOM 764 O CYS A 52 -4.268 9.363 -2.917 1.00 0.31 O ATOM 765 CB CYS A 52 -5.980 9.330 -0.443 1.00 0.22 C ATOM 766 SG CYS A 52 -7.630 9.269 -1.176 1.00 0.23 S ATOM 0 H CYS A 52 -3.683 9.291 0.314 1.00 0.23 H new ATOM 0 HA CYS A 52 -5.408 7.276 -0.707 1.00 0.21 H new ATOM 0 HB2 CYS A 52 -6.079 9.240 0.639 1.00 0.22 H new ATOM 0 HB3 CYS A 52 -5.549 10.311 -0.643 1.00 0.22 H new ATOM 771 N ASP A 53 -5.239 7.358 -3.159 1.00 0.28 N ATOM 772 CA ASP A 53 -5.052 7.320 -4.608 1.00 0.35 C ATOM 773 C ASP A 53 -5.821 8.444 -5.294 1.00 0.36 C ATOM 774 O ASP A 53 -5.502 8.827 -6.414 1.00 0.42 O ATOM 775 CB ASP A 53 -5.491 5.964 -5.177 1.00 0.39 C ATOM 776 CG ASP A 53 -5.142 5.815 -6.646 1.00 0.51 C ATOM 777 OD1 ASP A 53 -5.981 6.163 -7.505 1.00 0.56 O ATOM 778 OD2 ASP A 53 -4.023 5.348 -6.949 1.00 0.64 O ATOM 0 H ASP A 53 -5.723 6.547 -2.774 1.00 0.28 H new ATOM 0 HA ASP A 53 -3.989 7.459 -4.806 1.00 0.35 H new ATOM 0 HB2 ASP A 53 -5.016 5.164 -4.610 1.00 0.39 H new ATOM 0 HB3 ASP A 53 -6.567 5.850 -5.048 1.00 0.39 H new ATOM 783 N VAL A 54 -6.823 8.987 -4.612 1.00 0.33 N ATOM 784 CA VAL A 54 -7.657 10.023 -5.202 1.00 0.36 C ATOM 785 C VAL A 54 -7.061 11.414 -4.993 1.00 0.37 C ATOM 786 O VAL A 54 -6.844 12.149 -5.955 1.00 0.44 O ATOM 787 CB VAL A 54 -9.095 9.987 -4.645 1.00 0.34 C ATOM 788 CG1 VAL A 54 -9.933 11.098 -5.252 1.00 0.38 C ATOM 789 CG2 VAL A 54 -9.739 8.638 -4.914 1.00 0.33 C ATOM 0 H VAL A 54 -7.075 8.729 -3.658 1.00 0.33 H new ATOM 0 HA VAL A 54 -7.694 9.816 -6.271 1.00 0.36 H new ATOM 0 HB VAL A 54 -9.045 10.140 -3.567 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -10.944 11.055 -4.846 1.00 0.38 H new ATOM 0 HG12 VAL A 54 -9.486 12.063 -5.012 1.00 0.38 H new ATOM 0 HG13 VAL A 54 -9.971 10.975 -6.334 1.00 0.38 H new ATOM 0 HG21 VAL A 54 -10.753 8.632 -4.514 1.00 0.33 H new ATOM 0 HG22 VAL A 54 -9.772 8.459 -5.989 1.00 0.33 H new ATOM 0 HG23 VAL A 54 -9.155 7.854 -4.433 1.00 0.33 H new ATOM 799 N CYS A 55 -6.782 11.779 -3.745 1.00 0.34 N ATOM 800 CA CYS A 55 -6.321 13.137 -3.463 1.00 0.36 C ATOM 801 C CYS A 55 -4.814 13.205 -3.206 1.00 0.35 C ATOM 802 O CYS A 55 -4.235 14.290 -3.183 1.00 0.41 O ATOM 803 CB CYS A 55 -7.099 13.754 -2.293 1.00 0.37 C ATOM 804 SG CYS A 55 -7.002 12.849 -0.728 1.00 0.32 S ATOM 0 H CYS A 55 -6.864 11.171 -2.930 1.00 0.34 H new ATOM 0 HA CYS A 55 -6.519 13.724 -4.360 1.00 0.36 H new ATOM 0 HB2 CYS A 55 -6.732 14.767 -2.130 1.00 0.37 H new ATOM 0 HB3 CYS A 55 -8.147 13.837 -2.580 1.00 0.37 H new ATOM 809 N GLY A 56 -4.179 12.054 -3.018 1.00 0.33 N ATOM 810 CA GLY A 56 -2.743 12.025 -2.800 1.00 0.36 C ATOM 811 C GLY A 56 -2.360 12.435 -1.392 1.00 0.38 C ATOM 812 O GLY A 56 -1.182 12.611 -1.087 1.00 0.49 O ATOM 0 H GLY A 56 -4.632 11.140 -3.012 1.00 0.33 H new ATOM 0 HA2 GLY A 56 -2.369 11.020 -2.996 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -2.257 12.691 -3.513 1.00 0.36 H new ATOM 816 N LYS A 57 -3.355 12.589 -0.531 1.00 0.35 N ATOM 817 CA LYS A 57 -3.112 12.986 0.845 1.00 0.39 C ATOM 818 C LYS A 57 -3.094 11.772 1.762 1.00 0.33 C ATOM 819 O LYS A 57 -3.093 10.632 1.291 1.00 0.33 O ATOM 820 CB LYS A 57 -4.175 13.982 1.303 1.00 0.48 C ATOM 821 CG LYS A 57 -4.265 15.210 0.417 1.00 0.65 C ATOM 822 CD LYS A 57 -5.360 16.151 0.882 1.00 0.78 C ATOM 823 CE LYS A 57 -5.454 17.375 -0.011 1.00 1.16 C ATOM 824 NZ LYS A 57 -6.449 18.352 0.495 1.00 1.91 N ATOM 0 H LYS A 57 -4.338 12.445 -0.762 1.00 0.35 H new ATOM 0 HA LYS A 57 -2.135 13.467 0.896 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -5.145 13.485 1.323 1.00 0.48 H new ATOM 0 HB3 LYS A 57 -3.955 14.294 2.324 1.00 0.48 H new ATOM 0 HG2 LYS A 57 -3.309 15.733 0.420 1.00 0.65 H new ATOM 0 HG3 LYS A 57 -4.458 14.905 -0.611 1.00 0.65 H new ATOM 0 HD2 LYS A 57 -6.316 15.627 0.885 1.00 0.78 H new ATOM 0 HD3 LYS A 57 -5.164 16.462 1.908 1.00 0.78 H new ATOM 0 HE2 LYS A 57 -4.477 17.853 -0.077 1.00 1.16 H new ATOM 0 HE3 LYS A 57 -5.727 17.068 -1.021 1.00 1.16 H new ATOM 0 HZ1 LYS A 57 -6.484 19.173 -0.142 1.00 1.91 H new ATOM 0 HZ2 LYS A 57 -7.387 17.904 0.534 1.00 1.91 H new ATOM 0 HZ3 LYS A 57 -6.175 18.664 1.448 1.00 1.91 H new ATOM 838 N GLU A 58 -3.089 12.024 3.061 1.00 0.35 N ATOM 839 CA GLU A 58 -3.030 10.967 4.061 1.00 0.37 C ATOM 840 C GLU A 58 -4.211 10.007 3.911 1.00 0.30 C ATOM 841 O GLU A 58 -5.371 10.423 3.904 1.00 0.36 O ATOM 842 CB GLU A 58 -3.018 11.588 5.461 1.00 0.51 C ATOM 843 CG GLU A 58 -2.885 10.581 6.592 1.00 0.88 C ATOM 844 CD GLU A 58 -2.894 11.241 7.955 1.00 1.30 C ATOM 845 OE1 GLU A 58 -1.799 11.554 8.478 1.00 1.50 O ATOM 846 OE2 GLU A 58 -3.994 11.453 8.515 1.00 2.03 O ATOM 0 H GLU A 58 -3.126 12.965 3.453 1.00 0.35 H new ATOM 0 HA GLU A 58 -2.114 10.394 3.914 1.00 0.37 H new ATOM 0 HB2 GLU A 58 -2.193 12.298 5.524 1.00 0.51 H new ATOM 0 HB3 GLU A 58 -3.938 12.155 5.602 1.00 0.51 H new ATOM 0 HG2 GLU A 58 -3.703 9.863 6.534 1.00 0.88 H new ATOM 0 HG3 GLU A 58 -1.959 10.020 6.469 1.00 0.88 H new ATOM 853 N ALA A 59 -3.902 8.731 3.756 1.00 0.26 N ATOM 854 CA ALA A 59 -4.919 7.700 3.649 1.00 0.21 C ATOM 855 C ALA A 59 -5.312 7.187 5.023 1.00 0.23 C ATOM 856 O ALA A 59 -4.525 7.246 5.970 1.00 0.30 O ATOM 857 CB ALA A 59 -4.417 6.550 2.798 1.00 0.22 C ATOM 0 H ALA A 59 -2.945 8.382 3.701 1.00 0.26 H new ATOM 0 HA ALA A 59 -5.797 8.139 3.175 1.00 0.21 H new ATOM 0 HB1 ALA A 59 -5.190 5.785 2.727 1.00 0.22 H new ATOM 0 HB2 ALA A 59 -4.175 6.915 1.800 1.00 0.22 H new ATOM 0 HB3 ALA A 59 -3.524 6.122 3.254 1.00 0.22 H new ATOM 863 N ALA A 60 -6.532 6.686 5.126 1.00 0.20 N ATOM 864 CA ALA A 60 -7.023 6.131 6.371 1.00 0.23 C ATOM 865 C ALA A 60 -7.302 4.647 6.225 1.00 0.23 C ATOM 866 O ALA A 60 -7.074 3.871 7.151 1.00 0.30 O ATOM 867 CB ALA A 60 -8.275 6.862 6.818 1.00 0.27 C ATOM 0 H ALA A 60 -7.201 6.654 4.357 1.00 0.20 H new ATOM 0 HA ALA A 60 -6.252 6.261 7.131 1.00 0.23 H new ATOM 0 HB1 ALA A 60 -8.632 6.433 7.755 1.00 0.27 H new ATOM 0 HB2 ALA A 60 -8.047 7.918 6.966 1.00 0.27 H new ATOM 0 HB3 ALA A 60 -9.047 6.761 6.055 1.00 0.27 H new ATOM 873 N SER A 61 -7.791 4.254 5.061 1.00 0.21 N ATOM 874 CA SER A 61 -8.100 2.867 4.804 1.00 0.23 C ATOM 875 C SER A 61 -7.184 2.316 3.718 1.00 0.20 C ATOM 876 O SER A 61 -6.817 3.028 2.778 1.00 0.30 O ATOM 877 CB SER A 61 -9.565 2.739 4.406 1.00 0.30 C ATOM 878 OG SER A 61 -9.866 3.557 3.290 1.00 0.35 O ATOM 0 H SER A 61 -7.981 4.882 4.280 1.00 0.21 H new ATOM 0 HA SER A 61 -7.934 2.282 5.708 1.00 0.23 H new ATOM 0 HB2 SER A 61 -9.791 1.699 4.169 1.00 0.30 H new ATOM 0 HB3 SER A 61 -10.199 3.019 5.247 1.00 0.30 H new ATOM 0 HG SER A 61 -10.468 3.076 2.684 1.00 0.35 H new ATOM 884 N PHE A 62 -6.812 1.053 3.854 1.00 0.21 N ATOM 885 CA PHE A 62 -5.825 0.448 2.973 1.00 0.20 C ATOM 886 C PHE A 62 -6.400 -0.804 2.321 1.00 0.19 C ATOM 887 O PHE A 62 -6.929 -1.672 3.014 1.00 0.22 O ATOM 888 CB PHE A 62 -4.577 0.074 3.790 1.00 0.26 C ATOM 889 CG PHE A 62 -4.291 1.022 4.927 1.00 0.30 C ATOM 890 CD1 PHE A 62 -4.508 0.627 6.239 1.00 0.68 C ATOM 891 CD2 PHE A 62 -3.828 2.305 4.689 1.00 0.29 C ATOM 892 CE1 PHE A 62 -4.268 1.496 7.288 1.00 0.76 C ATOM 893 CE2 PHE A 62 -3.585 3.177 5.732 1.00 0.29 C ATOM 894 CZ PHE A 62 -3.806 2.772 7.035 1.00 0.47 C ATOM 0 H PHE A 62 -7.180 0.425 4.569 1.00 0.21 H new ATOM 0 HA PHE A 62 -5.557 1.161 2.194 1.00 0.20 H new ATOM 0 HB2 PHE A 62 -4.704 -0.932 4.190 1.00 0.26 H new ATOM 0 HB3 PHE A 62 -3.713 0.046 3.126 1.00 0.26 H new ATOM 0 HD1 PHE A 62 -4.868 -0.370 6.444 1.00 0.68 H new ATOM 0 HD2 PHE A 62 -3.654 2.628 3.673 1.00 0.29 H new ATOM 0 HE1 PHE A 62 -4.442 1.176 8.305 1.00 0.76 H new ATOM 0 HE2 PHE A 62 -3.223 4.174 5.530 1.00 0.29 H new ATOM 0 HZ PHE A 62 -3.618 3.452 7.853 1.00 0.47 H new ATOM 904 N CYS A 63 -6.321 -0.899 0.994 1.00 0.18 N ATOM 905 CA CYS A 63 -6.717 -2.126 0.316 1.00 0.18 C ATOM 906 C CYS A 63 -5.733 -3.226 0.680 1.00 0.19 C ATOM 907 O CYS A 63 -4.531 -3.093 0.463 1.00 0.22 O ATOM 908 CB CYS A 63 -6.774 -1.955 -1.210 1.00 0.20 C ATOM 909 SG CYS A 63 -7.578 -3.339 -2.063 1.00 0.23 S ATOM 0 H CYS A 63 -5.992 -0.154 0.379 1.00 0.18 H new ATOM 0 HA CYS A 63 -7.723 -2.388 0.645 1.00 0.18 H new ATOM 0 HB2 CYS A 63 -7.308 -1.034 -1.445 1.00 0.20 H new ATOM 0 HB3 CYS A 63 -5.760 -1.842 -1.593 1.00 0.20 H new ATOM 914 N GLU A 64 -6.241 -4.308 1.239 1.00 0.19 N ATOM 915 CA GLU A 64 -5.391 -5.399 1.692 1.00 0.23 C ATOM 916 C GLU A 64 -5.165 -6.398 0.565 1.00 0.25 C ATOM 917 O GLU A 64 -4.781 -7.546 0.799 1.00 0.29 O ATOM 918 CB GLU A 64 -6.020 -6.092 2.897 1.00 0.24 C ATOM 919 CG GLU A 64 -6.315 -5.148 4.053 1.00 0.24 C ATOM 920 CD GLU A 64 -7.028 -5.834 5.194 1.00 0.29 C ATOM 921 OE1 GLU A 64 -6.345 -6.342 6.108 1.00 0.42 O ATOM 922 OE2 GLU A 64 -8.275 -5.865 5.186 1.00 0.32 O ATOM 0 H GLU A 64 -7.238 -4.457 1.392 1.00 0.19 H new ATOM 0 HA GLU A 64 -4.426 -4.989 1.990 1.00 0.23 H new ATOM 0 HB2 GLU A 64 -6.947 -6.574 2.586 1.00 0.24 H new ATOM 0 HB3 GLU A 64 -5.351 -6.880 3.243 1.00 0.24 H new ATOM 0 HG2 GLU A 64 -5.380 -4.722 4.417 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -6.925 -4.319 3.694 1.00 0.24 H new ATOM 929 N MET A 65 -5.432 -5.959 -0.658 1.00 0.27 N ATOM 930 CA MET A 65 -5.231 -6.794 -1.831 1.00 0.32 C ATOM 931 C MET A 65 -4.373 -6.081 -2.878 1.00 0.35 C ATOM 932 O MET A 65 -4.055 -6.654 -3.917 1.00 0.44 O ATOM 933 CB MET A 65 -6.582 -7.188 -2.435 1.00 0.34 C ATOM 934 CG MET A 65 -7.467 -7.978 -1.481 1.00 0.36 C ATOM 935 SD MET A 65 -9.115 -8.287 -2.145 1.00 0.70 S ATOM 936 CE MET A 65 -8.723 -9.242 -3.608 1.00 1.54 C ATOM 0 H MET A 65 -5.790 -5.026 -0.862 1.00 0.27 H new ATOM 0 HA MET A 65 -4.702 -7.695 -1.518 1.00 0.32 H new ATOM 0 HB2 MET A 65 -7.110 -6.286 -2.744 1.00 0.34 H new ATOM 0 HB3 MET A 65 -6.410 -7.781 -3.334 1.00 0.34 H new ATOM 0 HG2 MET A 65 -6.988 -8.930 -1.254 1.00 0.36 H new ATOM 0 HG3 MET A 65 -7.556 -7.434 -0.541 1.00 0.36 H new ATOM 0 HE1 MET A 65 -9.448 -10.048 -3.721 1.00 1.54 H new ATOM 0 HE2 MET A 65 -8.759 -8.596 -4.485 1.00 1.54 H new ATOM 0 HE3 MET A 65 -7.723 -9.665 -3.510 1.00 1.54 H new ATOM 946 N CYS A 66 -3.997 -4.830 -2.601 1.00 0.32 N ATOM 947 CA CYS A 66 -3.122 -4.073 -3.491 1.00 0.34 C ATOM 948 C CYS A 66 -2.667 -2.794 -2.788 1.00 0.33 C ATOM 949 O CYS A 66 -3.310 -2.354 -1.838 1.00 0.32 O ATOM 950 CB CYS A 66 -3.848 -3.719 -4.793 1.00 0.35 C ATOM 951 SG CYS A 66 -5.045 -2.381 -4.629 1.00 0.32 S ATOM 0 H CYS A 66 -4.287 -4.322 -1.765 1.00 0.32 H new ATOM 0 HA CYS A 66 -2.255 -4.687 -3.737 1.00 0.34 H new ATOM 0 HB2 CYS A 66 -3.109 -3.441 -5.544 1.00 0.35 H new ATOM 0 HB3 CYS A 66 -4.360 -4.607 -5.164 1.00 0.35 H new ATOM 956 N PRO A 67 -1.557 -2.179 -3.241 1.00 0.35 N ATOM 957 CA PRO A 67 -1.001 -0.956 -2.629 1.00 0.37 C ATOM 958 C PRO A 67 -1.847 0.300 -2.872 1.00 0.37 C ATOM 959 O PRO A 67 -1.317 1.414 -2.917 1.00 0.46 O ATOM 960 CB PRO A 67 0.366 -0.795 -3.315 1.00 0.41 C ATOM 961 CG PRO A 67 0.627 -2.103 -3.975 1.00 0.42 C ATOM 962 CD PRO A 67 -0.724 -2.627 -4.365 1.00 0.38 C ATOM 0 HA PRO A 67 -0.959 -1.057 -1.545 1.00 0.37 H new ATOM 0 HB2 PRO A 67 0.349 0.017 -4.042 1.00 0.41 H new ATOM 0 HB3 PRO A 67 1.145 -0.557 -2.590 1.00 0.41 H new ATOM 0 HG2 PRO A 67 1.269 -1.982 -4.848 1.00 0.42 H new ATOM 0 HG3 PRO A 67 1.135 -2.790 -3.299 1.00 0.42 H new ATOM 0 HD2 PRO A 67 -1.064 -2.215 -5.315 1.00 0.38 H new ATOM 0 HD3 PRO A 67 -0.727 -3.712 -4.469 1.00 0.38 H new ATOM 970 N SER A 68 -3.150 0.128 -3.040 1.00 0.33 N ATOM 971 CA SER A 68 -4.051 1.258 -3.219 1.00 0.33 C ATOM 972 C SER A 68 -4.758 1.591 -1.905 1.00 0.27 C ATOM 973 O SER A 68 -5.394 0.732 -1.293 1.00 0.40 O ATOM 974 CB SER A 68 -5.074 0.951 -4.314 1.00 0.37 C ATOM 975 OG SER A 68 -4.428 0.556 -5.516 1.00 0.46 O ATOM 0 H SER A 68 -3.608 -0.783 -3.056 1.00 0.33 H new ATOM 0 HA SER A 68 -3.465 2.125 -3.524 1.00 0.33 H new ATOM 0 HB2 SER A 68 -5.744 0.159 -3.979 1.00 0.37 H new ATOM 0 HB3 SER A 68 -5.689 1.832 -4.500 1.00 0.37 H new ATOM 0 HG SER A 68 -4.431 -0.422 -5.583 1.00 0.46 H new ATOM 981 N SER A 69 -4.635 2.835 -1.471 1.00 0.21 N ATOM 982 CA SER A 69 -5.234 3.275 -0.222 1.00 0.17 C ATOM 983 C SER A 69 -6.072 4.534 -0.436 1.00 0.16 C ATOM 984 O SER A 69 -5.888 5.246 -1.427 1.00 0.18 O ATOM 985 CB SER A 69 -4.134 3.526 0.808 1.00 0.24 C ATOM 986 OG SER A 69 -3.033 4.200 0.218 1.00 0.38 O ATOM 0 H SER A 69 -4.122 3.562 -1.969 1.00 0.21 H new ATOM 0 HA SER A 69 -5.898 2.494 0.148 1.00 0.17 H new ATOM 0 HB2 SER A 69 -4.530 4.120 1.632 1.00 0.24 H new ATOM 0 HB3 SER A 69 -3.802 2.577 1.230 1.00 0.24 H new ATOM 0 HG SER A 69 -3.335 5.052 -0.160 1.00 0.38 H new ATOM 992 N PHE A 70 -6.994 4.807 0.484 1.00 0.15 N ATOM 993 CA PHE A 70 -7.885 5.953 0.351 1.00 0.15 C ATOM 994 C PHE A 70 -8.035 6.672 1.687 1.00 0.16 C ATOM 995 O PHE A 70 -7.880 6.070 2.751 1.00 0.18 O ATOM 996 CB PHE A 70 -9.263 5.504 -0.148 1.00 0.16 C ATOM 997 CG PHE A 70 -9.228 4.746 -1.446 1.00 0.18 C ATOM 998 CD1 PHE A 70 -9.093 5.415 -2.651 1.00 0.21 C ATOM 999 CD2 PHE A 70 -9.329 3.365 -1.458 1.00 0.21 C ATOM 1000 CE1 PHE A 70 -9.057 4.720 -3.845 1.00 0.24 C ATOM 1001 CE2 PHE A 70 -9.297 2.664 -2.648 1.00 0.24 C ATOM 1002 CZ PHE A 70 -9.160 3.342 -3.844 1.00 0.25 C ATOM 0 H PHE A 70 -7.142 4.251 1.326 1.00 0.15 H new ATOM 0 HA PHE A 70 -7.449 6.640 -0.375 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.727 4.878 0.614 1.00 0.16 H new ATOM 0 HB3 PHE A 70 -9.898 6.382 -0.269 1.00 0.16 H new ATOM 0 HD1 PHE A 70 -9.015 6.492 -2.658 1.00 0.21 H new ATOM 0 HD2 PHE A 70 -9.434 2.830 -0.526 1.00 0.21 H new ATOM 0 HE1 PHE A 70 -8.948 5.253 -4.778 1.00 0.24 H new ATOM 0 HE2 PHE A 70 -9.379 1.587 -2.643 1.00 0.24 H new ATOM 0 HZ PHE A 70 -9.133 2.796 -4.776 1.00 0.25 H new ATOM 1012 N CYS A 71 -8.322 7.967 1.631 1.00 0.18 N ATOM 1013 CA CYS A 71 -8.553 8.745 2.840 1.00 0.22 C ATOM 1014 C CYS A 71 -9.979 8.520 3.327 1.00 0.23 C ATOM 1015 O CYS A 71 -10.771 7.890 2.624 1.00 0.22 O ATOM 1016 CB CYS A 71 -8.301 10.238 2.583 1.00 0.26 C ATOM 1017 SG CYS A 71 -9.514 11.020 1.494 1.00 0.26 S ATOM 0 H CYS A 71 -8.400 8.498 0.764 1.00 0.18 H new ATOM 0 HA CYS A 71 -7.856 8.415 3.610 1.00 0.22 H new ATOM 0 HB2 CYS A 71 -8.295 10.763 3.538 1.00 0.26 H new ATOM 0 HB3 CYS A 71 -7.309 10.357 2.148 1.00 0.26 H new ATOM 1022 N LYS A 72 -10.317 9.028 4.504 1.00 0.29 N ATOM 1023 CA LYS A 72 -11.665 8.852 5.043 1.00 0.33 C ATOM 1024 C LYS A 72 -12.718 9.412 4.087 1.00 0.34 C ATOM 1025 O LYS A 72 -13.834 8.901 4.006 1.00 0.38 O ATOM 1026 CB LYS A 72 -11.791 9.501 6.420 1.00 0.40 C ATOM 1027 CG LYS A 72 -11.010 8.768 7.495 1.00 0.46 C ATOM 1028 CD LYS A 72 -11.183 9.397 8.864 1.00 0.60 C ATOM 1029 CE LYS A 72 -10.396 8.633 9.915 1.00 0.71 C ATOM 1030 NZ LYS A 72 -10.504 9.255 11.258 1.00 1.23 N ATOM 0 H LYS A 72 -9.685 9.561 5.102 1.00 0.29 H new ATOM 0 HA LYS A 72 -11.842 7.782 5.152 1.00 0.33 H new ATOM 0 HB2 LYS A 72 -11.441 10.532 6.363 1.00 0.40 H new ATOM 0 HB3 LYS A 72 -12.843 9.537 6.704 1.00 0.40 H new ATOM 0 HG2 LYS A 72 -11.335 7.728 7.532 1.00 0.46 H new ATOM 0 HG3 LYS A 72 -9.952 8.762 7.232 1.00 0.46 H new ATOM 0 HD2 LYS A 72 -10.849 10.434 8.837 1.00 0.60 H new ATOM 0 HD3 LYS A 72 -12.239 9.409 9.132 1.00 0.60 H new ATOM 0 HE2 LYS A 72 -10.758 7.606 9.962 1.00 0.71 H new ATOM 0 HE3 LYS A 72 -9.348 8.588 9.620 1.00 0.71 H new ATOM 0 HZ1 LYS A 72 -9.952 8.700 11.943 1.00 1.23 H new ATOM 0 HZ2 LYS A 72 -10.135 10.227 11.221 1.00 1.23 H new ATOM 0 HZ3 LYS A 72 -11.501 9.274 11.552 1.00 1.23 H new ATOM 1044 N GLN A 73 -12.339 10.432 3.336 1.00 0.33 N ATOM 1045 CA GLN A 73 -13.241 11.058 2.381 1.00 0.36 C ATOM 1046 C GLN A 73 -13.453 10.181 1.154 1.00 0.31 C ATOM 1047 O GLN A 73 -14.582 9.979 0.716 1.00 0.38 O ATOM 1048 CB GLN A 73 -12.700 12.421 1.951 1.00 0.41 C ATOM 1049 CG GLN A 73 -13.066 13.557 2.893 1.00 1.17 C ATOM 1050 CD GLN A 73 -14.551 13.868 2.872 1.00 1.67 C ATOM 1051 OE1 GLN A 73 -15.013 14.670 2.059 1.00 2.36 O ATOM 1052 NE2 GLN A 73 -15.308 13.249 3.766 1.00 2.20 N ATOM 0 H GLN A 73 -11.408 10.847 3.369 1.00 0.33 H new ATOM 0 HA GLN A 73 -14.203 11.189 2.877 1.00 0.36 H new ATOM 0 HB2 GLN A 73 -11.614 12.362 1.874 1.00 0.41 H new ATOM 0 HB3 GLN A 73 -13.078 12.653 0.955 1.00 0.41 H new ATOM 0 HG2 GLN A 73 -12.766 13.295 3.908 1.00 1.17 H new ATOM 0 HG3 GLN A 73 -12.506 14.450 2.616 1.00 1.17 H new ATOM 0 HE21 GLN A 73 -14.887 12.591 4.423 1.00 2.20 H new ATOM 0 HE22 GLN A 73 -16.311 13.430 3.798 1.00 2.20 H new ATOM 1061 N HIS A 74 -12.366 9.643 0.616 1.00 0.24 N ATOM 1062 CA HIS A 74 -12.422 8.959 -0.673 1.00 0.21 C ATOM 1063 C HIS A 74 -12.439 7.442 -0.535 1.00 0.19 C ATOM 1064 O HIS A 74 -12.217 6.729 -1.509 1.00 0.20 O ATOM 1065 CB HIS A 74 -11.248 9.383 -1.558 1.00 0.22 C ATOM 1066 CG HIS A 74 -11.276 10.834 -1.911 1.00 0.26 C ATOM 1067 ND1 HIS A 74 -10.136 11.598 -1.930 1.00 0.28 N ATOM 1068 CD2 HIS A 74 -12.338 11.612 -2.217 1.00 0.30 C ATOM 1069 CE1 HIS A 74 -10.530 12.824 -2.231 1.00 0.33 C ATOM 1070 NE2 HIS A 74 -11.857 12.880 -2.415 1.00 0.34 N ATOM 0 H HIS A 74 -11.442 9.665 1.046 1.00 0.24 H new ATOM 0 HA HIS A 74 -13.361 9.255 -1.140 1.00 0.21 H new ATOM 0 HB2 HIS A 74 -10.313 9.158 -1.044 1.00 0.22 H new ATOM 0 HB3 HIS A 74 -11.259 8.792 -2.474 1.00 0.22 H new ATOM 0 HD2 HIS A 74 -13.368 11.295 -2.291 1.00 0.30 H new ATOM 0 HE1 HIS A 74 -9.867 13.672 -2.318 1.00 0.33 H new ATOM 0 HE2 HIS A 74 -12.403 13.707 -2.656 1.00 0.34 H new ATOM 1078 N ARG A 75 -12.682 6.942 0.664 1.00 0.20 N ATOM 1079 CA ARG A 75 -12.826 5.503 0.850 1.00 0.20 C ATOM 1080 C ARG A 75 -14.257 5.071 0.576 1.00 0.23 C ATOM 1081 O ARG A 75 -14.523 3.892 0.326 1.00 0.25 O ATOM 1082 CB ARG A 75 -12.393 5.074 2.254 1.00 0.25 C ATOM 1083 CG ARG A 75 -13.180 5.715 3.379 1.00 0.31 C ATOM 1084 CD ARG A 75 -12.627 5.306 4.737 1.00 0.39 C ATOM 1085 NE ARG A 75 -13.325 5.967 5.836 1.00 0.53 N ATOM 1086 CZ ARG A 75 -13.178 5.639 7.118 1.00 0.77 C ATOM 1087 NH1 ARG A 75 -12.386 4.627 7.465 1.00 0.98 N ATOM 1088 NH2 ARG A 75 -13.837 6.315 8.048 1.00 0.92 N ATOM 0 H ARG A 75 -12.783 7.498 1.513 1.00 0.20 H new ATOM 0 HA ARG A 75 -12.169 5.008 0.135 1.00 0.20 H new ATOM 0 HB2 ARG A 75 -12.486 3.991 2.334 1.00 0.25 H new ATOM 0 HB3 ARG A 75 -11.338 5.314 2.384 1.00 0.25 H new ATOM 0 HG2 ARG A 75 -13.144 6.800 3.280 1.00 0.31 H new ATOM 0 HG3 ARG A 75 -14.228 5.423 3.307 1.00 0.31 H new ATOM 0 HD2 ARG A 75 -12.712 4.225 4.852 1.00 0.39 H new ATOM 0 HD3 ARG A 75 -11.565 5.549 4.784 1.00 0.39 H new ATOM 0 HE ARG A 75 -13.965 6.727 5.607 1.00 0.53 H new ATOM 0 HH11 ARG A 75 -11.889 4.099 6.748 1.00 0.98 H new ATOM 0 HH12 ARG A 75 -12.276 4.379 8.448 1.00 0.98 H new ATOM 0 HH21 ARG A 75 -14.453 7.082 7.780 1.00 0.92 H new ATOM 0 HH22 ARG A 75 -13.728 6.068 9.032 1.00 0.92 H new ATOM 1102 N GLU A 76 -15.172 6.034 0.588 1.00 0.27 N ATOM 1103 CA GLU A 76 -16.579 5.754 0.363 1.00 0.34 C ATOM 1104 C GLU A 76 -16.805 5.279 -1.065 1.00 0.32 C ATOM 1105 O GLU A 76 -16.451 5.971 -2.023 1.00 0.34 O ATOM 1106 CB GLU A 76 -17.410 7.005 0.625 1.00 0.43 C ATOM 1107 CG GLU A 76 -17.274 7.540 2.036 1.00 0.55 C ATOM 1108 CD GLU A 76 -18.112 8.776 2.270 1.00 1.02 C ATOM 1109 OE1 GLU A 76 -19.260 8.636 2.744 1.00 1.21 O ATOM 1110 OE2 GLU A 76 -17.625 9.894 1.995 1.00 1.65 O ATOM 0 H GLU A 76 -14.960 7.018 0.752 1.00 0.27 H new ATOM 0 HA GLU A 76 -16.888 4.966 1.050 1.00 0.34 H new ATOM 0 HB2 GLU A 76 -17.113 7.782 -0.079 1.00 0.43 H new ATOM 0 HB3 GLU A 76 -18.459 6.782 0.430 1.00 0.43 H new ATOM 0 HG2 GLU A 76 -17.569 6.766 2.745 1.00 0.55 H new ATOM 0 HG3 GLU A 76 -16.227 7.772 2.234 1.00 0.55 H new ATOM 1117 N GLY A 77 -17.383 4.094 -1.205 1.00 0.37 N ATOM 1118 CA GLY A 77 -17.666 3.552 -2.519 1.00 0.42 C ATOM 1119 C GLY A 77 -16.423 3.093 -3.267 1.00 0.40 C ATOM 1120 O GLY A 77 -16.528 2.477 -4.325 1.00 0.58 O ATOM 0 H GLY A 77 -17.662 3.496 -0.428 1.00 0.37 H new ATOM 0 HA2 GLY A 77 -18.350 2.710 -2.416 1.00 0.42 H new ATOM 0 HA3 GLY A 77 -18.179 4.309 -3.113 1.00 0.42 H new ATOM 1124 N MET A 78 -15.249 3.392 -2.728 1.00 0.29 N ATOM 1125 CA MET A 78 -13.996 3.024 -3.384 1.00 0.27 C ATOM 1126 C MET A 78 -13.372 1.809 -2.708 1.00 0.24 C ATOM 1127 O MET A 78 -12.787 0.951 -3.369 1.00 0.28 O ATOM 1128 CB MET A 78 -13.004 4.195 -3.371 1.00 0.29 C ATOM 1129 CG MET A 78 -13.515 5.450 -4.077 1.00 0.35 C ATOM 1130 SD MET A 78 -13.872 5.179 -5.825 1.00 0.58 S ATOM 1131 CE MET A 78 -12.230 4.833 -6.456 1.00 1.51 C ATOM 0 H MET A 78 -15.135 3.886 -1.843 1.00 0.29 H new ATOM 0 HA MET A 78 -14.224 2.774 -4.420 1.00 0.27 H new ATOM 0 HB2 MET A 78 -12.765 4.444 -2.337 1.00 0.29 H new ATOM 0 HB3 MET A 78 -12.075 3.877 -3.845 1.00 0.29 H new ATOM 0 HG2 MET A 78 -14.419 5.799 -3.577 1.00 0.35 H new ATOM 0 HG3 MET A 78 -12.772 6.242 -3.982 1.00 0.35 H new ATOM 0 HE1 MET A 78 -12.231 4.924 -7.542 1.00 1.51 H new ATOM 0 HE2 MET A 78 -11.520 5.544 -6.033 1.00 1.51 H new ATOM 0 HE3 MET A 78 -11.939 3.820 -6.177 1.00 1.51 H new ATOM 1141 N LEU A 79 -13.493 1.743 -1.388 1.00 0.24 N ATOM 1142 CA LEU A 79 -13.000 0.602 -0.641 1.00 0.22 C ATOM 1143 C LEU A 79 -14.156 -0.028 0.127 1.00 0.25 C ATOM 1144 O LEU A 79 -15.002 0.683 0.674 1.00 0.32 O ATOM 1145 CB LEU A 79 -11.906 1.059 0.331 1.00 0.24 C ATOM 1146 CG LEU A 79 -10.953 -0.029 0.827 1.00 0.22 C ATOM 1147 CD1 LEU A 79 -10.100 -0.562 -0.308 1.00 0.21 C ATOM 1148 CD2 LEU A 79 -10.067 0.514 1.927 1.00 0.27 C ATOM 0 H LEU A 79 -13.928 2.467 -0.817 1.00 0.24 H new ATOM 0 HA LEU A 79 -12.578 -0.135 -1.324 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -11.317 1.836 -0.156 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -12.385 1.517 1.196 1.00 0.24 H new ATOM 0 HG LEU A 79 -11.552 -0.850 1.222 1.00 0.22 H new ATOM 0 HD11 LEU A 79 -9.431 -1.334 0.071 1.00 0.21 H new ATOM 0 HD12 LEU A 79 -10.744 -0.986 -1.079 1.00 0.21 H new ATOM 0 HD13 LEU A 79 -9.511 0.251 -0.733 1.00 0.21 H new ATOM 0 HD21 LEU A 79 -9.393 -0.270 2.272 1.00 0.27 H new ATOM 0 HD22 LEU A 79 -9.484 1.351 1.544 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -10.685 0.852 2.758 1.00 0.27 H new ATOM 1160 N PHE A 80 -14.191 -1.347 0.173 1.00 0.24 N ATOM 1161 CA PHE A 80 -15.248 -2.064 0.870 1.00 0.31 C ATOM 1162 C PHE A 80 -14.710 -3.379 1.409 1.00 0.31 C ATOM 1163 O PHE A 80 -13.651 -3.835 0.988 1.00 0.26 O ATOM 1164 CB PHE A 80 -16.444 -2.305 -0.069 1.00 0.37 C ATOM 1165 CG PHE A 80 -16.113 -3.080 -1.321 1.00 0.37 C ATOM 1166 CD1 PHE A 80 -15.693 -2.425 -2.469 1.00 0.36 C ATOM 1167 CD2 PHE A 80 -16.216 -4.463 -1.346 1.00 0.42 C ATOM 1168 CE1 PHE A 80 -15.387 -3.133 -3.613 1.00 0.40 C ATOM 1169 CE2 PHE A 80 -15.911 -5.173 -2.489 1.00 0.46 C ATOM 1170 CZ PHE A 80 -15.510 -4.507 -3.629 1.00 0.45 C ATOM 0 H PHE A 80 -13.495 -1.949 -0.267 1.00 0.24 H new ATOM 0 HA PHE A 80 -15.595 -1.460 1.708 1.00 0.31 H new ATOM 0 HB2 PHE A 80 -17.218 -2.841 0.480 1.00 0.37 H new ATOM 0 HB3 PHE A 80 -16.865 -1.341 -0.355 1.00 0.37 H new ATOM 0 HD1 PHE A 80 -15.604 -1.349 -2.468 1.00 0.36 H new ATOM 0 HD2 PHE A 80 -16.539 -4.990 -0.460 1.00 0.42 H new ATOM 0 HE1 PHE A 80 -15.051 -2.611 -4.497 1.00 0.40 H new ATOM 0 HE2 PHE A 80 -15.986 -6.250 -2.491 1.00 0.46 H new ATOM 0 HZ PHE A 80 -15.293 -5.060 -4.531 1.00 0.45 H new ATOM 1180 N ILE A 81 -15.431 -3.981 2.338 1.00 0.38 N ATOM 1181 CA ILE A 81 -15.017 -5.253 2.906 1.00 0.38 C ATOM 1182 C ILE A 81 -15.358 -6.393 1.956 1.00 0.42 C ATOM 1183 O ILE A 81 -16.508 -6.549 1.540 1.00 0.47 O ATOM 1184 CB ILE A 81 -15.667 -5.511 4.281 1.00 0.45 C ATOM 1185 CG1 ILE A 81 -15.167 -4.494 5.311 1.00 0.46 C ATOM 1186 CG2 ILE A 81 -15.373 -6.925 4.754 1.00 0.48 C ATOM 1187 CD1 ILE A 81 -13.689 -4.608 5.618 1.00 0.44 C ATOM 0 H ILE A 81 -16.304 -3.611 2.715 1.00 0.38 H new ATOM 0 HA ILE A 81 -13.937 -5.206 3.049 1.00 0.38 H new ATOM 0 HB ILE A 81 -16.746 -5.397 4.175 1.00 0.45 H new ATOM 0 HG12 ILE A 81 -15.376 -3.489 4.945 1.00 0.46 H new ATOM 0 HG13 ILE A 81 -15.731 -4.620 6.235 1.00 0.46 H new ATOM 0 HG21 ILE A 81 -15.840 -7.088 5.725 1.00 0.48 H new ATOM 0 HG22 ILE A 81 -15.773 -7.640 4.035 1.00 0.48 H new ATOM 0 HG23 ILE A 81 -14.295 -7.063 4.842 1.00 0.48 H new ATOM 0 HD11 ILE A 81 -13.411 -3.855 6.355 1.00 0.44 H new ATOM 0 HD12 ILE A 81 -13.475 -5.600 6.015 1.00 0.44 H new ATOM 0 HD13 ILE A 81 -13.115 -4.451 4.705 1.00 0.44 H new ATOM 1199 N SER A 82 -14.349 -7.172 1.611 1.00 0.41 N ATOM 1200 CA SER A 82 -14.513 -8.296 0.712 1.00 0.47 C ATOM 1201 C SER A 82 -15.059 -9.497 1.465 1.00 0.54 C ATOM 1202 O SER A 82 -14.575 -9.844 2.539 1.00 0.61 O ATOM 1203 CB SER A 82 -13.173 -8.645 0.062 1.00 0.57 C ATOM 1204 OG SER A 82 -13.300 -9.741 -0.829 1.00 0.79 O ATOM 0 H SER A 82 -13.395 -7.042 1.946 1.00 0.41 H new ATOM 0 HA SER A 82 -15.223 -8.022 -0.068 1.00 0.47 H new ATOM 0 HB2 SER A 82 -12.792 -7.778 -0.477 1.00 0.57 H new ATOM 0 HB3 SER A 82 -12.443 -8.885 0.835 1.00 0.57 H new ATOM 0 HG SER A 82 -12.428 -9.939 -1.230 1.00 0.79 H new ATOM 1210 N LYS A 83 -16.068 -10.129 0.892 1.00 0.65 N ATOM 1211 CA LYS A 83 -16.706 -11.285 1.505 1.00 0.80 C ATOM 1212 C LYS A 83 -15.824 -12.529 1.402 1.00 0.81 C ATOM 1213 O LYS A 83 -16.184 -13.597 1.901 1.00 0.91 O ATOM 1214 CB LYS A 83 -18.063 -11.542 0.857 1.00 0.98 C ATOM 1215 CG LYS A 83 -19.044 -10.392 1.028 1.00 1.06 C ATOM 1216 CD LYS A 83 -20.390 -10.710 0.398 1.00 1.34 C ATOM 1217 CE LYS A 83 -21.370 -9.554 0.544 1.00 2.08 C ATOM 1218 NZ LYS A 83 -21.641 -9.224 1.968 1.00 2.62 N ATOM 0 H LYS A 83 -16.468 -9.859 -0.007 1.00 0.65 H new ATOM 0 HA LYS A 83 -16.852 -11.067 2.563 1.00 0.80 H new ATOM 0 HB2 LYS A 83 -17.919 -11.731 -0.207 1.00 0.98 H new ATOM 0 HB3 LYS A 83 -18.496 -12.446 1.286 1.00 0.98 H new ATOM 0 HG2 LYS A 83 -19.178 -10.182 2.089 1.00 1.06 H new ATOM 0 HG3 LYS A 83 -18.632 -9.491 0.574 1.00 1.06 H new ATOM 0 HD2 LYS A 83 -20.252 -10.938 -0.659 1.00 1.34 H new ATOM 0 HD3 LYS A 83 -20.808 -11.602 0.865 1.00 1.34 H new ATOM 0 HE2 LYS A 83 -20.970 -8.675 0.039 1.00 2.08 H new ATOM 0 HE3 LYS A 83 -22.306 -9.809 0.047 1.00 2.08 H new ATOM 0 HZ1 LYS A 83 -22.444 -8.566 2.025 1.00 2.62 H new ATOM 0 HZ2 LYS A 83 -21.869 -10.095 2.489 1.00 2.62 H new ATOM 0 HZ3 LYS A 83 -20.799 -8.780 2.388 1.00 2.62 H new ATOM 1232 N LEU A 84 -14.680 -12.392 0.738 1.00 0.76 N ATOM 1233 CA LEU A 84 -13.772 -13.513 0.549 1.00 0.81 C ATOM 1234 C LEU A 84 -12.965 -13.787 1.817 1.00 0.76 C ATOM 1235 O LEU A 84 -13.005 -14.891 2.356 1.00 0.81 O ATOM 1236 CB LEU A 84 -12.831 -13.237 -0.626 1.00 0.90 C ATOM 1237 CG LEU A 84 -13.513 -13.006 -1.979 1.00 1.05 C ATOM 1238 CD1 LEU A 84 -12.480 -12.695 -3.049 1.00 1.34 C ATOM 1239 CD2 LEU A 84 -14.343 -14.217 -2.381 1.00 1.25 C ATOM 0 H LEU A 84 -14.362 -11.516 0.323 1.00 0.76 H new ATOM 0 HA LEU A 84 -14.368 -14.399 0.328 1.00 0.81 H new ATOM 0 HB2 LEU A 84 -12.229 -12.360 -0.388 1.00 0.90 H new ATOM 0 HB3 LEU A 84 -12.144 -14.078 -0.724 1.00 0.90 H new ATOM 0 HG LEU A 84 -14.181 -12.151 -1.880 1.00 1.05 H new ATOM 0 HD11 LEU A 84 -12.982 -12.534 -4.003 1.00 1.34 H new ATOM 0 HD12 LEU A 84 -11.929 -11.796 -2.772 1.00 1.34 H new ATOM 0 HD13 LEU A 84 -11.787 -13.532 -3.140 1.00 1.34 H new ATOM 0 HD21 LEU A 84 -14.817 -14.029 -3.344 1.00 1.25 H new ATOM 0 HD22 LEU A 84 -13.697 -15.091 -2.459 1.00 1.25 H new ATOM 0 HD23 LEU A 84 -15.110 -14.399 -1.628 1.00 1.25 H new ATOM 1251 N ASP A 85 -12.248 -12.780 2.302 1.00 0.72 N ATOM 1252 CA ASP A 85 -11.436 -12.939 3.512 1.00 0.75 C ATOM 1253 C ASP A 85 -11.686 -11.817 4.511 1.00 0.66 C ATOM 1254 O ASP A 85 -10.958 -11.684 5.494 1.00 0.70 O ATOM 1255 CB ASP A 85 -9.938 -13.003 3.184 1.00 0.85 C ATOM 1256 CG ASP A 85 -9.536 -14.285 2.481 1.00 1.04 C ATOM 1257 OD1 ASP A 85 -9.103 -14.216 1.312 1.00 1.47 O ATOM 1258 OD2 ASP A 85 -9.680 -15.372 3.084 1.00 1.42 O ATOM 0 H ASP A 85 -12.209 -11.851 1.883 1.00 0.72 H new ATOM 0 HA ASP A 85 -11.739 -13.884 3.963 1.00 0.75 H new ATOM 0 HB2 ASP A 85 -9.673 -12.153 2.555 1.00 0.85 H new ATOM 0 HB3 ASP A 85 -9.366 -12.907 4.107 1.00 0.85 H new ATOM 1263 N GLY A 86 -12.712 -11.011 4.264 1.00 0.59 N ATOM 1264 CA GLY A 86 -13.035 -9.915 5.161 1.00 0.56 C ATOM 1265 C GLY A 86 -12.039 -8.781 5.068 1.00 0.48 C ATOM 1266 O GLY A 86 -11.916 -7.966 5.985 1.00 0.50 O ATOM 0 H GLY A 86 -13.328 -11.097 3.456 1.00 0.59 H new ATOM 0 HA2 GLY A 86 -14.031 -9.540 4.928 1.00 0.56 H new ATOM 0 HA3 GLY A 86 -13.066 -10.285 6.186 1.00 0.56 H new ATOM 1270 N ARG A 87 -11.333 -8.728 3.953 1.00 0.43 N ATOM 1271 CA ARG A 87 -10.310 -7.721 3.743 1.00 0.39 C ATOM 1272 C ARG A 87 -10.893 -6.476 3.107 1.00 0.33 C ATOM 1273 O ARG A 87 -11.907 -6.538 2.415 1.00 0.36 O ATOM 1274 CB ARG A 87 -9.206 -8.269 2.847 1.00 0.46 C ATOM 1275 CG ARG A 87 -8.381 -9.363 3.492 1.00 0.58 C ATOM 1276 CD ARG A 87 -7.204 -9.745 2.617 1.00 0.96 C ATOM 1277 NE ARG A 87 -6.395 -10.797 3.222 1.00 1.25 N ATOM 1278 CZ ARG A 87 -5.103 -10.990 2.966 1.00 1.81 C ATOM 1279 NH1 ARG A 87 -4.450 -10.178 2.138 1.00 2.25 N ATOM 1280 NH2 ARG A 87 -4.460 -11.991 3.551 1.00 2.10 N ATOM 0 H ARG A 87 -11.451 -9.376 3.174 1.00 0.43 H new ATOM 0 HA ARG A 87 -9.897 -7.459 4.717 1.00 0.39 H new ATOM 0 HB2 ARG A 87 -9.653 -8.656 1.931 1.00 0.46 H new ATOM 0 HB3 ARG A 87 -8.546 -7.451 2.559 1.00 0.46 H new ATOM 0 HG2 ARG A 87 -8.021 -9.026 4.464 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -9.006 -10.238 3.669 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -7.568 -10.080 1.646 1.00 0.96 H new ATOM 0 HD3 ARG A 87 -6.583 -8.867 2.440 1.00 0.96 H new ATOM 0 HE ARG A 87 -6.849 -11.426 3.885 1.00 1.25 H new ATOM 0 HH11 ARG A 87 -4.940 -9.401 1.694 1.00 2.25 H new ATOM 0 HH12 ARG A 87 -3.460 -10.333 1.947 1.00 2.25 H new ATOM 0 HH21 ARG A 87 -4.955 -12.609 4.194 1.00 2.10 H new ATOM 0 HH22 ARG A 87 -3.470 -12.143 3.358 1.00 2.10 H new ATOM 1294 N LEU A 88 -10.252 -5.351 3.358 1.00 0.28 N ATOM 1295 CA LEU A 88 -10.599 -4.111 2.693 1.00 0.26 C ATOM 1296 C LEU A 88 -10.162 -4.182 1.236 1.00 0.24 C ATOM 1297 O LEU A 88 -8.970 -4.161 0.936 1.00 0.28 O ATOM 1298 CB LEU A 88 -9.918 -2.932 3.384 1.00 0.27 C ATOM 1299 CG LEU A 88 -10.402 -2.633 4.800 1.00 0.35 C ATOM 1300 CD1 LEU A 88 -9.324 -1.898 5.578 1.00 0.44 C ATOM 1301 CD2 LEU A 88 -11.672 -1.797 4.759 1.00 0.44 C ATOM 0 H LEU A 88 -9.483 -5.271 4.023 1.00 0.28 H new ATOM 0 HA LEU A 88 -11.678 -3.967 2.743 1.00 0.26 H new ATOM 0 HB2 LEU A 88 -8.845 -3.123 3.418 1.00 0.27 H new ATOM 0 HB3 LEU A 88 -10.064 -2.041 2.773 1.00 0.27 H new ATOM 0 HG LEU A 88 -10.618 -3.577 5.299 1.00 0.35 H new ATOM 0 HD11 LEU A 88 -9.681 -1.690 6.587 1.00 0.44 H new ATOM 0 HD12 LEU A 88 -8.428 -2.516 5.630 1.00 0.44 H new ATOM 0 HD13 LEU A 88 -9.089 -0.960 5.076 1.00 0.44 H new ATOM 0 HD21 LEU A 88 -12.005 -1.592 5.776 1.00 0.44 H new ATOM 0 HD22 LEU A 88 -11.472 -0.856 4.246 1.00 0.44 H new ATOM 0 HD23 LEU A 88 -12.450 -2.343 4.226 1.00 0.44 H new ATOM 1313 N SER A 89 -11.124 -4.287 0.340 1.00 0.22 N ATOM 1314 CA SER A 89 -10.840 -4.464 -1.071 1.00 0.23 C ATOM 1315 C SER A 89 -11.345 -3.270 -1.878 1.00 0.21 C ATOM 1316 O SER A 89 -12.451 -2.777 -1.648 1.00 0.22 O ATOM 1317 CB SER A 89 -11.489 -5.761 -1.563 1.00 0.28 C ATOM 1318 OG SER A 89 -12.882 -5.765 -1.298 1.00 0.55 O ATOM 0 H SER A 89 -12.118 -4.252 0.567 1.00 0.22 H new ATOM 0 HA SER A 89 -9.761 -4.529 -1.211 1.00 0.23 H new ATOM 0 HB2 SER A 89 -11.319 -5.874 -2.634 1.00 0.28 H new ATOM 0 HB3 SER A 89 -11.020 -6.615 -1.074 1.00 0.28 H new ATOM 0 HG SER A 89 -13.367 -5.463 -2.094 1.00 0.55 H new ATOM 1324 N CYS A 90 -10.514 -2.789 -2.795 1.00 0.22 N ATOM 1325 CA CYS A 90 -10.871 -1.652 -3.639 1.00 0.24 C ATOM 1326 C CYS A 90 -11.749 -2.112 -4.801 1.00 0.27 C ATOM 1327 O CYS A 90 -11.825 -3.305 -5.091 1.00 0.31 O ATOM 1328 CB CYS A 90 -9.604 -0.977 -4.175 1.00 0.25 C ATOM 1329 SG CYS A 90 -8.700 -1.973 -5.381 1.00 0.28 S ATOM 0 H CYS A 90 -9.585 -3.169 -2.974 1.00 0.22 H new ATOM 0 HA CYS A 90 -11.429 -0.933 -3.040 1.00 0.24 H new ATOM 0 HB2 CYS A 90 -9.877 -0.027 -4.634 1.00 0.25 H new ATOM 0 HB3 CYS A 90 -8.944 -0.749 -3.338 1.00 0.25 H new ATOM 1334 N THR A 91 -12.390 -1.159 -5.473 1.00 0.30 N ATOM 1335 CA THR A 91 -13.318 -1.458 -6.558 1.00 0.36 C ATOM 1336 C THR A 91 -12.607 -1.803 -7.868 1.00 0.43 C ATOM 1337 O THR A 91 -13.195 -1.702 -8.945 1.00 0.54 O ATOM 1338 CB THR A 91 -14.265 -0.271 -6.800 1.00 0.39 C ATOM 1339 OG1 THR A 91 -13.518 0.955 -6.823 1.00 0.43 O ATOM 1340 CG2 THR A 91 -15.332 -0.201 -5.723 1.00 0.38 C ATOM 0 H THR A 91 -12.281 -0.163 -5.281 1.00 0.30 H new ATOM 0 HA THR A 91 -13.884 -2.335 -6.243 1.00 0.36 H new ATOM 0 HB THR A 91 -14.755 -0.416 -7.763 1.00 0.39 H new ATOM 0 HG1 THR A 91 -14.127 1.706 -6.979 1.00 0.43 H new ATOM 0 HG21 THR A 91 -15.989 0.647 -5.916 1.00 0.38 H new ATOM 0 HG22 THR A 91 -15.916 -1.121 -5.729 1.00 0.38 H new ATOM 0 HG23 THR A 91 -14.858 -0.078 -4.749 1.00 0.38 H new ATOM 1348 N GLU A 92 -11.348 -2.209 -7.779 1.00 0.43 N ATOM 1349 CA GLU A 92 -10.587 -2.589 -8.959 1.00 0.52 C ATOM 1350 C GLU A 92 -10.231 -4.068 -8.923 1.00 0.51 C ATOM 1351 O GLU A 92 -9.272 -4.498 -9.564 1.00 0.63 O ATOM 1352 CB GLU A 92 -9.302 -1.771 -9.059 1.00 0.56 C ATOM 1353 CG GLU A 92 -9.528 -0.275 -9.133 1.00 0.66 C ATOM 1354 CD GLU A 92 -8.266 0.475 -9.493 1.00 1.38 C ATOM 1355 OE1 GLU A 92 -7.621 1.029 -8.579 1.00 2.13 O ATOM 1356 OE2 GLU A 92 -7.905 0.505 -10.688 1.00 1.54 O ATOM 0 H GLU A 92 -10.833 -2.283 -6.902 1.00 0.43 H new ATOM 0 HA GLU A 92 -11.212 -2.391 -9.830 1.00 0.52 H new ATOM 0 HB2 GLU A 92 -8.675 -1.991 -8.195 1.00 0.56 H new ATOM 0 HB3 GLU A 92 -8.749 -2.089 -9.943 1.00 0.56 H new ATOM 0 HG2 GLU A 92 -10.299 -0.062 -9.873 1.00 0.66 H new ATOM 0 HG3 GLU A 92 -9.900 0.083 -8.173 1.00 0.66 H new ATOM 1363 N HIS A 93 -10.987 -4.844 -8.162 1.00 0.49 N ATOM 1364 CA HIS A 93 -10.690 -6.264 -8.011 1.00 0.53 C ATOM 1365 C HIS A 93 -11.890 -7.126 -8.390 1.00 0.67 C ATOM 1366 O HIS A 93 -12.299 -8.013 -7.637 1.00 0.85 O ATOM 1367 CB HIS A 93 -10.254 -6.578 -6.573 1.00 0.45 C ATOM 1368 CG HIS A 93 -8.963 -5.929 -6.161 1.00 0.37 C ATOM 1369 ND1 HIS A 93 -8.094 -5.310 -7.030 1.00 0.39 N ATOM 1370 CD2 HIS A 93 -8.403 -5.819 -4.934 1.00 0.33 C ATOM 1371 CE1 HIS A 93 -7.059 -4.845 -6.316 1.00 0.36 C ATOM 1372 NE2 HIS A 93 -7.197 -5.128 -5.031 1.00 0.32 N ATOM 0 H HIS A 93 -11.803 -4.521 -7.643 1.00 0.49 H new ATOM 0 HA HIS A 93 -9.870 -6.501 -8.690 1.00 0.53 H new ATOM 0 HB2 HIS A 93 -11.041 -6.259 -5.890 1.00 0.45 H new ATOM 0 HB3 HIS A 93 -10.155 -7.658 -6.464 1.00 0.45 H new ATOM 0 HD1 HIS A 93 -8.216 -5.221 -8.039 1.00 0.39 H new ATOM 0 HD2 HIS A 93 -8.826 -6.207 -4.019 1.00 0.33 H new ATOM 0 HE1 HIS A 93 -6.221 -4.309 -6.736 1.00 0.36 H new ATOM 1380 N ASP A 94 -12.452 -6.858 -9.558 1.00 0.83 N ATOM 1381 CA ASP A 94 -13.518 -7.687 -10.107 1.00 1.02 C ATOM 1382 C ASP A 94 -13.076 -8.250 -11.440 1.00 1.33 C ATOM 1383 O ASP A 94 -12.583 -9.395 -11.471 1.00 1.92 O ATOM 1384 CB ASP A 94 -14.823 -6.903 -10.293 1.00 1.54 C ATOM 1385 CG ASP A 94 -15.438 -6.450 -8.989 1.00 2.05 C ATOM 1386 OD1 ASP A 94 -15.999 -7.301 -8.271 1.00 2.40 O ATOM 1387 OD2 ASP A 94 -15.369 -5.241 -8.672 1.00 2.65 O ATOM 1388 OXT ASP A 94 -13.187 -7.533 -12.453 1.00 1.91 O ATOM 0 H ASP A 94 -12.187 -6.069 -10.148 1.00 0.83 H new ATOM 0 HA ASP A 94 -13.714 -8.490 -9.397 1.00 1.02 H new ATOM 0 HB2 ASP A 94 -14.629 -6.031 -10.918 1.00 1.54 H new ATOM 0 HB3 ASP A 94 -15.540 -7.526 -10.828 1.00 1.54 H new TER 1393 ASP A 94 HETATM 1394 ZN ZN A 101 7.338 -4.238 -7.200 1.00 0.35 ZN HETATM 1395 ZN ZN A 102 4.133 2.729 5.052 1.00 0.29 ZN HETATM 1396 ZN ZN A 103 -8.655 11.246 -0.630 1.00 0.26 ZN HETATM 1397 ZN ZN A 104 -7.130 -3.266 -4.316 1.00 0.27 ZN